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Butanoic acid, 4-cyclododecylidene-
SpectraBase Compound ID HQxNO2Jgqzp
InChI InChI=1S/C16H28O2/c17-16(18)14-10-13-15-11-8-6-4-2-1-3-5-7-9-12-15/h13H,1-12,14H2,(H,17,18)
InChIKey JXDSRSFQMXFDOU-UHFFFAOYSA-N
Mol Weight 252.4 g/mol
Molecular Formula C16H28O2
Exact Mass 252.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2a6NECqfPDz
Name Butanoic acid, 4-cyclododecylidene-
Alternate Name(s) 4-cyclododecylidenebutanoic acid 4-Cyclododecylidenebutyric acid Cyclododecane, butanoic acid deriv.
CAS Registry Number 59177-20-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O2
InChI InChI=1S/C16H28O2/c17-16(18)14-10-13-15-11-8-6-4-2-1-3-5-7-9-12-15/h13H,1-12,14H2,(H,17,18)
InChIKey JXDSRSFQMXFDOU-UHFFFAOYSA-N
Molecular Weight 252.398 g/mol
SMILES OC(=O)CCC=C1CCCCCCCCCCC1
SPLASH splash10-0pcr-9040000000-554f074dfc755058f3eb
Source of Spectrum B-28-2675-0
Wiley ID 1256120