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Methyl 3-oxo-2-tetradecanoyloctadecanoate

View entire compound with spectra: 1 MS (GC)

Methyl 3-oxo-2-tetradecanoyloctadecanoate
SpectraBase Compound ID IHKrRDXAxwr
InChI InChI=1S/C33H62O4/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/h32H,4-29H2,1-3H3
InChIKey FMYSWTLMSSCYFQ-UHFFFAOYSA-N
Mol Weight 522.9 g/mol
Molecular Formula C33H62O4
Exact Mass 522.46481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6C45lKhhAIb
Name Methyl 3-oxo-2-tetradecanoyloctadecanoate
Alternate Name(s) 3-Oxo-2-(1-oxotetradecyl)octadecanoic acid methyl ester Methyl 3-oxo-2-tetradecanoyl-octadecanoate Methyl 3-oxidanylidene-2-tetradecanoyl-octadecanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H62O4
InChI InChI=1S/C33H62O4/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/h32H,4-29H2,1-3H3
InChIKey FMYSWTLMSSCYFQ-UHFFFAOYSA-N
Molecular Weight 522.855 g/mol
SMILES C(C(=O)OC)(C(=O)CCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCC
SPLASH splash10-08g0-9074010000-d83f057f548955955b31
Source of Spectrum X2-50-649-7
Wiley ID 1602343