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Nonadecanoic acid methyl ester
SpectraBase Compound ID RRGUBslkuc
InChI InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h3-19H2,1-2H3
InChIKey BDXAHSJUDUZLDU-UHFFFAOYSA-N
Mol Weight 312.5 g/mol
Molecular Formula C20H40O2
Exact Mass 312.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4MOhZdJw7k
Name Nonadecanoic acid ME
CAS Registry Number 1731-94-8
Classification Fatty acid
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Exact Mass 312.302830526 u
Formula C20H40O2
InChI InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h3-19H2,1-2H3
InChIKey BDXAHSJUDUZLDU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 312.538 g/mol
SMILES C(CCCCC(OC)=O)CCCCCCCCCCCCC
SPLASH splash10-05g0-9211000000-2d02f323f60078b774cd
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_3038