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(E)-13-cyano-2-methyl-2-tridecenoic acid methyl ester
SpectraBase Compound ID GauWnFGqWnG
InChI InChI=1S/C16H27NO2/c1-15(16(18)19-2)13-11-9-7-5-3-4-6-8-10-12-14-17/h13H,3-12H2,1-2H3/b15-13+
InChIKey LVBCHRPIOZNPDE-FYWRMAATSA-N
Mol Weight 265.4 g/mol
Molecular Formula C16H27NO2
Exact Mass 265.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3KAfQOqQ4O7
Name (E)-13-cyano-2-methyl-2-tridecenoic acid methyl ester
CAS Registry Number 117582-45-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H27NO2
InChI InChI=1S/C16H27NO2/c1-15(16(18)19-2)13-11-9-7-5-3-4-6-8-10-12-14-17/h13H,3-12H2,1-2H3/b15-13+
InChIKey LVBCHRPIOZNPDE-FYWRMAATSA-N
Molecular Weight 265.397 g/mol
SMILES C(\C(=C\CCCCCCCCCCC#N)C)(=O)OC
SPLASH splash10-0002-9030000000-0c709af757adca3435bf
Source of Spectrum C-111-320-0
Synonyms (E)-13-cyano-2-methyl-tridec-2-enoic acid methyl ester Methyl (2E)-13-cyano-2-methyl-2-tridecenoate Methyl (E)-13-cyano-2-methyl-tridec-2-enoate
Wiley ID 1269100