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Octadecanoic acid, 3-hydroxy-2-(1-oxotetradecyl)-, methyl ester
SpectraBase Compound ID 9fDtTflZG8w
InChI InChI=1S/C33H64O4/c1-4-6-8-10-12-14-16-17-19-21-23-25-27-29-31(35)32(33(36)37-3)30(34)28-26-24-22-20-18-15-13-11-9-7-5-2/h31-32,35H,4-29H2,1-3H3
InChIKey NRXOQRQOKHDQQJ-UHFFFAOYSA-N
Mol Weight 524.9 g/mol
Molecular Formula C33H64O4
Exact Mass 524.480461 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B18VKmWKMS0
Name Octadecanoic acid, 3-hydroxy-2-(1-oxotetradecyl)-, methyl ester
CAS Registry Number 56554-23-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H64O4
InChI InChI=1S/C33H64O4/c1-4-6-8-10-12-14-16-17-19-21-23-25-27-29-31(35)32(33(36)37-3)30(34)28-26-24-22-20-18-15-13-11-9-7-5-2/h31-32,35H,4-29H2,1-3H3
InChIKey NRXOQRQOKHDQQJ-UHFFFAOYSA-N
Molecular Weight 524.871 g/mol
SMILES OC(C(C(CCCCCCCCCCCCC)=O)C(OC)=O)CCCCCCCCCCCCCCC
SPLASH splash10-05g4-9220000000-9c30587307a70125a28c
Source of Spectrum EP-4646-0-0
Synonyms Methyl 3-hydroxy-2-tetradecanoyloctadecanoate 3-Hydroxy-2-(1-oxotetradecyl)octadecanoic acid methyl ester 3-Hydroxy-2-tetradecanoyl-stearic acid methyl ester Methyl 3-oxidanyl-2-tetradecanoyl-octadecanoate
Wiley ID 1402622