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Heptadecanoic acid methyl ester
SpectraBase Compound ID EoqqEuGxAEF
InChI InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-17H2,1-2H3
InChIKey HUEBIMLTDXKIPR-UHFFFAOYSA-N
Mol Weight 284.5 g/mol
Molecular Formula C18H36O2
Exact Mass 284.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1uyiVg3WT4
Name Heptadecanoic acid ME
CAS Registry Number 1731-92-6
Classification Fatty acid
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Exact Mass 284.271530397 u
Formula C18H36O2
InChI InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-17H2,1-2H3
InChIKey HUEBIMLTDXKIPR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 284.484 g/mol
SMILES C(CCCCC(OC)=O)CCCCCCCCCCC
SPLASH splash10-00dr-9210000000-c0cb75e0dedc7023404b
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_3037