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 Google Search
Mol Weight	887.6 g/mol
Molecular Formula	C60H118O3
Exact Mass	886.908098 g/mol

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SpectraBase Spectrum ID	H7UDRiLcPUS
Name	Hexacontanoic acid, 18-oxo-
Alternate Name(s)	18-ketohexacontanoic acid 18-oxidanylidenehexacontanoic acid
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-9100000000-d50cba596f936c035c8e
Source of Spectrum	N-3-127-3
Wiley ID	1417945