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Pimelic acid
SpectraBase Compound ID GaXASwU6WH0
InChI InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)
InChIKey WLJVNTCWHIRURA-UHFFFAOYSA-N
Mol Weight 160.17 g/mol
Molecular Formula C7H12O4
Exact Mass 160.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4T7ZAOKx3Ec
Name Heptanedioic acid
CAS Registry Number 111-16-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O4
InChI InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)
InChIKey WLJVNTCWHIRURA-UHFFFAOYSA-N
Molecular Weight 160.169 g/mol
SMILES OC(CCCCCC(=O)O)=O
SPLASH splash10-08gl-9200000000-c82432b7b93769a8393e
Source of Spectrum AA-0-1006-2
Synonyms 1,5-Pentanedicarboxylic acid Pimelic acid 1,7-Heptanedioic acid 6-Carboxyhexanoate Heptandioic acid Heptane-1,7-dioic acid Pentane-1,5-dicarboxylic acid Pileric acid Pimelate BRN 1210024 EINECS 203-840-8 NSC 30112
Wiley ID 1156505