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12-hydroxy-13-heptadecynoic acid methyl ester
SpectraBase Compound ID 3tO9qAoXQ9N
InChI InChI=1S/C18H32O3/c1-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21-2/h17,19H,3-10,12-13,15-16H2,1-2H3
InChIKey NKEDPDYWDDRDAZ-UHFFFAOYSA-N
Mol Weight 296.5 g/mol
Molecular Formula C18H32O3
Exact Mass 296.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JpcMDeKr4JY
Name 12-hydroxy-13-heptadecynoic acid methyl ester
Alternate Name(s) 12-hydroxyheptadec-13-ynoic acid methyl ester Methyl 12-hydroxyheptadec-13-ynoate Methyl 12-oxidanylheptadec-13-ynoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H32O3
InChI InChI=1S/C18H32O3/c1-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21-2/h17,19H,3-10,12-13,15-16H2,1-2H3
InChIKey NKEDPDYWDDRDAZ-UHFFFAOYSA-N
Molecular Weight 296.451 g/mol
SMILES OC(CCCCCCCCCCC(=O)OC)C#CCCC
SPLASH splash10-0a4i-9060000000-d3f377136bd295405473
Source of Spectrum E1-36-1421-4
Wiley ID 1574682