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Butyl 12-carboxymethyl-9-octadecenoate

View entire compound with spectra: 1 MS (GC)

Butyl 12-carboxymethyl-9-octadecenoate
SpectraBase Compound ID KxOFV0omcXQ
InChI InChI=1S/C24H44O4/c1-3-5-7-14-17-22(21-23(25)26)18-15-12-10-8-9-11-13-16-19-24(27)28-20-6-4-2/h12,15,22H,3-11,13-14,16-21H2,1-2H3,(H,25,26)
InChIKey ZRMLXPMBVUFXBZ-UHFFFAOYSA-N
Mol Weight 396.6 g/mol
Molecular Formula C24H44O4
Exact Mass 396.32396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2OByqnqkNQj
Name Butyl 12-carboxymethyl-9-octadecenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H44O4
InChI InChI=1S/C24H44O4/c1-3-5-7-14-17-22(21-23(25)26)18-15-12-10-8-9-11-13-16-19-24(27)28-20-6-4-2/h12,15,22H,3-11,13-14,16-21H2,1-2H3,(H,25,26)
InChIKey ZRMLXPMBVUFXBZ-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 396.612 g/mol
SMILES OC(CC(CCCCCC)CC=CCCCCCCCC(=O)OCCCC)=O
SPLASH splash10-0lea-9400000000-22aa4328ab64d5f7c923
Source of Spectrum SRH-2022-3329-0
Wiley ID 1825612