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Isocitric acid 3ME
SpectraBase Compound ID AaMtFd6H7vf
InChI InChI=1S/C9H14O7/c1-14-6(10)4-5(8(12)15-2)7(11)9(13)16-3/h5,7,11H,4H2,1-3H3
InChIKey HRMWDPSXPUUMOQ-UHFFFAOYSA-N
Mol Weight 234.2 g/mol
Molecular Formula C9H14O7
Exact Mass 234.073953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46vUK4AXVqI
Name 1,2,3-Propanetricarboxylic acid, 1-hydroxy-, trimethyl ester, (R*,S*)-(.+-.)-
CAS Registry Number 56009-39-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O7
InChI InChI=1S/C9H14O7/c1-14-6(10)4-5(8(12)15-2)7(11)9(13)16-3/h5,7,11H,4H2,1-3H3
InChIKey HRMWDPSXPUUMOQ-UHFFFAOYSA-N
Molecular Weight 234.204 g/mol
SMILES OC(C(CC(OC)=O)C(OC)=O)C(OC)=O
SPLASH splash10-069u-7900000000-5e30507eb8828765eeda
Source of Spectrum EP-1062-0-0
Synonyms 1,5-Dimethyl 2,3-dideoxy-3-(methoxycarbonyl)pentarate 1,2,3-Propanetricarboxylic acid, 1-hydroxy-, trimethyl ester, (R*,S*)-(.+/-.)- 1-Hydroxypropane-1,2,3-tricarboxylic acid trimethyl ester Trimethyl 1-hydroxypropane-1,2,3-tricarboxylate Trimethyl 1-oxidanylpropane-1,2,3-tricarboxylate
Wiley ID 1235410