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Hexacontanoic acid, 18-oxo-
SpectraBase Compound ID 3ThwA3CT9KO
InChI InChI=1S/C60H118O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-38-41-44-47-50-53-56-59(61)57-54-51-48-45-42-39-36-37-40-43-46-49-52-55-58-60(62)63/h2-58H2,1H3,(H,62,63)
InChIKey MRKDVZOHGOFGMA-UHFFFAOYSA-N
Mol Weight 887.6 g/mol
Molecular Formula C60H118O3
Exact Mass 886.908098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6pABhoyjFJt
Name Hexacontanoic acid, 18-oxo-
CAS Registry Number 40710-27-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C60H118O3
InChI InChI=1S/C60H118O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-38-41-44-47-50-53-56-59(61)57-54-51-48-45-42-39-36-37-40-43-46-49-52-55-58-60(62)63/h2-58H2,1H3,(H,62,63)
InChIKey MRKDVZOHGOFGMA-UHFFFAOYSA-N
Molecular Weight 887.601 g/mol
SMILES OC(CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)=O
SPLASH splash10-05fr-9000000000-aec7e3d7931305367962
Source of Spectrum Va-0-0-0
Synonyms 18-ketohexacontanoic acid 18-oxidanylidenehexacontanoic acid
Wiley ID 742709