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13-DOCOSENOIC ACID, METHYL ESTER, cis-,
SpectraBase Compound ID AbyrPAqi5xw
InChI InChI=1S/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h10-11H,3-9,12-22H2,1-2H3/b11-10-
InChIKey ZYNDJIBBPLNPOW-KHPPLWFESA-N
Mol Weight 352.6 g/mol
Molecular Formula C23H44O2
Exact Mass 352.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lz3H8CCIl6
Name Erucic acid ME
CAS Registry Number 1120-34-9
Classification Fatty acid
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Exact Mass 352.334130655 u
Formula C23H44O2
InChI InChI=1S/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h10-11H,3-9,12-22H2,1-2H3/b11-10-
InChIKey ZYNDJIBBPLNPOW-KHPPLWFESA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 352.603 g/mol
SMILES C(CCCCCC\C=C/CCCCCCCC)CCCCC(OC)=O
SPLASH splash10-0ac1-9411000000-4bfbcbb071656597f930
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_2670