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About This Item
Empirical Formula (Hill Notation):
13C3C19H18O10
Molecular Weight:
445.35
UNSPSC Code:
12352114
PubChem Substance ID:
NACRES:
NA.12
Isotopic purity:
≥99 atom % 13C
Assay:
≥97% (CP)
Mass shift:
M+3
Form:
powder
isotopic purity
≥99 atom % 13C
Quality Level
assay
≥97% (CP)
form
powder
technique(s)
mass spectrometry (MS): suitable
mass shift
M+3
SMILES string
OC1=C(C(O)=CC(C(O[13C]([13C]2)[13C](OC3=C2C(O)=CC(O)=C3)C(C=C4O)=CC=C4O)=O)=C1)O
InChI
1S/C22H14O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,23-29H/i8+1,19+1,21+1
InChI key
SFJYIQKCXZHKAJ-SFWKTOTKSA-N
Application
Relative stereochemistry
signalword
Warning
hcodes
pcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Regulatory Information
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Global Trade Item Number
| SKU | GTIN |
|---|---|
| 900370-1MG | 04061826689288 |
