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706337

Sigma-Aldrich

Caffeic acid-13C9

99 atom % 13C, 97% (CP)

Synonym(s):

3,4-Dihydroxycinnamic acid-13C9

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About This Item

Empirical Formula (Hill Notation):
13C9H8O4
CAS Number:
1173097-51-2
Molecular Weight:
189.09
MDL number:
MFCD12546048
UNSPSC Code:
12352002
PubChem Substance ID:
329762631

isotopic purity

99 atom % 13C

Assay

97% (CP)

form

powder

mol wt

189.00 by atom % calculation

technique(s)

mass spectrometry (MS): suitable

mp

211-213 °C (dec.)

mass shift

M+9

SMILES string

O[13C](=O)\[13CH]=[13CH]\[13c]1[13cH][13cH][13c](O)[13c](O)[13cH]1

InChI

1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1

InChI key

QAIPRVGONGVQAS-RJKLISAOSA-N

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