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2,6-Deoxyfructosazine-13C4

Product Code

TRC-D235802

CAS Number

1246817-52-6

Product Format

Neat

Molecular Formula

C8¹³C4H20N2O7

Molecular Weight

308.27

Product Categories

TRC, Food additives, flavours and adulterants, Building blocks, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

36806-15-2

Price and availability

48-hour USA dispatch time
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Product Information

Chemical Data

Analyte Name

2,6-Deoxyfructosazine-13C4

CAS Number

1246817-52-6

Molecular Formula

C8¹³C4H20N2O7

Molecular Weight

308.27

Accurate Mass

308.14

SMILES

OC[C@@H](O)[C@@H](O)[C@H](O)[13C]1=[13CH]N=[13CH][13C](C[C@H](O)[C@H](O)CO)=N1

InChI

InChI=1S/C12H20N2O7/c15-4-9(18)8(17)1-6-2-13-3-7(14-6)11(20)12(21)10(19)5-16/h2-3,8-12,15-21H,1,4-5H2/t8-,9+,10+,11+,12+/m0/s1/i2+1,3+1,6+1,7+1

IUPAC

(1R,2S,3R)-1-(6-((2S,3R)-2,3,4-trihydroxybutyl)pyrazin-2-yl-2,3,5,6-13C4)butane-1,2,3,4-tetraol

Unlabelled CAS Number

36806-15-2

SIL Type

Carbon

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Product Description

Labelled 2,6-Deoxyfructosazine. Contained in tobacco flavor additives.

References: Tsuchida, H., et al.: Agric. Biol. Chem., 40, 921 (1976),
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