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Methyl 13-(benzoylox)-10-hydroxytridec-11-ene-5,8-diynoate
SpectraBase Compound ID LSuPNxNcHmc
InChI InChI=1S/C21H22O5/c1-25-20(23)16-10-5-3-2-4-9-14-19(22)15-11-17-26-21(24)18-12-7-6-8-13-18/h6-8,11-13,15,19,22H,4-5,10,16-17H2,1H3/b15-11+
InChIKey YFVZMZOCRFGXDG-RVDMUPIBSA-N
Mol Weight 354.4 g/mol
Molecular Formula C21H22O5
Exact Mass 354.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4pW2bRO6NFH
Name Methyl 13-(benzoylox)-10-hydroxytridec-11-ene-5,8-diynoate
Alternate Name(s) (2E)-4-hydroxy-13-methoxy-13-oxo-2-tridecene-5,8-diynyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O5
InChI InChI=1S/C21H22O5/c1-25-20(23)16-10-5-3-2-4-9-14-19(22)15-11-17-26-21(24)18-12-7-6-8-13-18/h6-8,11-13,15,19,22H,4-5,10,16-17H2,1H3/b15-11+
InChIKey YFVZMZOCRFGXDG-RVDMUPIBSA-N
Molecular Weight 354.402 g/mol
SMILES OC(C#CCC#CCCCC(=O)OC)\C=C\COC(=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-6b680745b187e7e3c731
Source of Spectrum QF-47-1205-7
Wiley ID 833689