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Hexadecanedioic acid

View entire compound with spectra: 3 NMR, 4 FTIR, 1 Raman, and 7 MS (GC)

Hexadecanedioic acid
SpectraBase Compound ID ATLRRinfy1Q
InChI InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)
InChIKey QQHJDPROMQRDLA-UHFFFAOYSA-N
Mol Weight 286.41 g/mol
Molecular Formula C16H30O4
Exact Mass 286.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7GZ34pw9LGa
Name Hexadecanedioic acid
CAS Registry Number 505-54-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H30O4
InChI InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)
InChIKey QQHJDPROMQRDLA-UHFFFAOYSA-N
Molecular Weight 286.412 g/mol
SMILES OC(CCCCCCCCCCCCCCC(=O)O)=O
SPLASH splash10-06ry-9000000000-cd7aea8c718c23bdf892
Source of Spectrum JC-408-151-14
Synonyms 1,16-Hexadecanedioic acid Hexadecane-1,16-dioic acid n-Tetradecane-.omega.,.omega.'-dicarboxylic acid N-tetradecane-omega,omega'-dicarboxylic acid Thapsic acid EINECS 208-013-5 NSC 15164
Wiley ID 1289886