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Sebacic acid

View entire compound with spectra: 7 NMR, 11 FTIR, 1 Raman, 8 MS (GC), and 8 MS (LC)

Sebacic acid
SpectraBase Compound ID 7my9tylFDCh
InChI InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)
InChIKey CXMXRPHRNRROMY-UHFFFAOYSA-N
Mol Weight 202.25 g/mol
Molecular Formula C10H18O4
Exact Mass 202.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FFP8BAnpx3F
Name Decanedioic acid
CAS Registry Number 111-20-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O4
InChI InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)
InChIKey CXMXRPHRNRROMY-UHFFFAOYSA-N
Molecular Weight 202.250 g/mol
SMILES OC(CCCCCCCCC(=O)O)=O
SPLASH splash10-0532-9100000000-79104f864a02171f096b
Source of Spectrum Va-0-0-0
Synonyms Sebacic acid 1,10-Decanedioic acid Acide sebacique Decanedicarboxylic acid Ipomic acid n-Decanedioic acid Sebacic acids Sebacinsaure Seracic acid USAF HC-1 AI3-09127 BRN 1210591 CCRIS 2290 EINECS 203-845-5 NSC 19492
Wiley ID 742768