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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 GgnAcwMBC7D
Name Heptanedioic acid
Alternate Name(s) 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
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 splash10-08fu-9100000000-2cb3a0253d0f7ed59631
Source of Spectrum NP-1-9318-0
Wiley ID 1099961