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Pentacontanoic acid, 18-oxo-

View entire compound with spectra: 1 MS (GC)

Pentacontanoic acid, 18-oxo-
SpectraBase Compound ID 7dnB2jSgpuM
InChI InChI=1S/C50H98O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-31-34-37-40-43-46-49(51)47-44-41-38-35-32-29-26-27-30-33-36-39-42-45-48-50(52)53/h2-48H2,1H3,(H,52,53)
InChIKey LTCZOIIRIFOICQ-UHFFFAOYSA-N
Mol Weight 747.3 g/mol
Molecular Formula C50H98O3
Exact Mass 746.751597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2zRllMt3lBe
Name Pentacontanoic acid, 18-oxo-
Alternate Name(s) 18-ketopentacontanoic acid 18-oxidanylidenepentacontanoic acid 18-Oxopentacontanoic acid
CAS Registry Number 40710-26-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H98O3
InChI InChI=1S/C50H98O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-31-34-37-40-43-46-49(51)47-44-41-38-35-32-29-26-27-30-33-36-39-42-45-48-50(52)53/h2-48H2,1H3,(H,52,53)
InChIKey LTCZOIIRIFOICQ-UHFFFAOYSA-N
Molecular Weight 747.331 g/mol
SMILES OC(CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)=O
SPLASH splash10-0a4l-9110100000-77fb60df1708d8868222
Source of Spectrum N-3-126-2
Wiley ID 1416257