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Hentetracontanoic acid, 18-oxo-

View entire compound with spectra: 1 MS (GC)

Hentetracontanoic acid, 18-oxo-
SpectraBase Compound ID JFZ4I1KU98x
InChI InChI=1S/C41H80O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-31-34-37-40(42)38-35-32-29-26-23-20-17-18-21-24-27-30-33-36-39-41(43)44/h2-39H2,1H3,(H,43,44)
InChIKey BXFJBGSSNSNOHL-UHFFFAOYSA-N
Mol Weight 621.1 g/mol
Molecular Formula C41H80O3
Exact Mass 620.610746 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9NnrcUTFZgz
Name Hentetracontanoic acid, 18-oxo-
CAS Registry Number 40710-25-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H80O3
InChI InChI=1S/C41H80O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-31-34-37-40(42)38-35-32-29-26-23-20-17-18-21-24-27-30-33-36-39-41(43)44/h2-39H2,1H3,(H,43,44)
InChIKey BXFJBGSSNSNOHL-UHFFFAOYSA-N
Molecular Weight 621.088 g/mol
SMILES OC(CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCCCCCCC)=O)=O
SPLASH splash10-0a4i-9112000000-123a07936390db7c081b
Source of Spectrum N-3-126-1
Synonyms 18-ketohentetracontanoic acid 18-oxidanylidenehentetracontanoic acid 18-Oxohentetracontanoic acid
Wiley ID 1411575