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Methyl 9,10-dideutero octadecanoate

View entire compound with spectra: 5 MS (GC)

Methyl 9,10-dideutero octadecanoate
SpectraBase Compound ID 9ONl4252XRH
InChI InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3/i10D,11D
InChIKey HPEUJPJOZXNMSJ-MIBQVNFTSA-N
Mol Weight 300.5 g/mol
Molecular Formula C19H362D2O2
Exact Mass 300.299734 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1sTIPchf5cr
Name Methyl 9,10-dideutero octadecanoate
Alternate Name(s) Methyl erythro-9,10-dideutero-octadecanoate Methyl threo-9,10-dideutero-octadecanoate
CAS Registry Number 19953-02-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H36D2O2
InChI InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3/i10D,11D
InChIKey HPEUJPJOZXNMSJ-MIBQVNFTSA-N
Molecular Weight 300.523 g/mol
SMILES C(=O)(OC)CCCCCCCC(C(CCCCCCCC)[2D])[2D]
SPLASH splash10-00du-9110000000-76066573d376e84f960c
Source of Spectrum A-2-145-1
Wiley ID 1301381