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6-(benzoyloxy)-3-hydroxy-2-methyleneheptanoic acid, methyl ester
SpectraBase Compound ID DIHiFdV5P9o
InChI InChI=1S/C16H20O5/c1-11(9-10-14(17)12(2)15(18)20-3)21-16(19)13-7-5-4-6-8-13/h4-8,11,14,17H,2,9-10H2,1,3H3
InChIKey SBOZNIQSRGOZAG-UHFFFAOYSA-N
Mol Weight 292.33 g/mol
Molecular Formula C16H20O5
Exact Mass 292.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3MDWvXPBwH
Name 6-(benzoyloxy)-3-hydroxy-2-methyleneheptanoic acid, methyl ester
Alternate Name(s) 4-Hydroxy-5-(methoxycarbonyl)-1-methyl-5-hexenyl benzoate
CAS Registry Number 87050-31-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O5
InChI InChI=1S/C16H20O5/c1-11(9-10-14(17)12(2)15(18)20-3)21-16(19)13-7-5-4-6-8-13/h4-8,11,14,17H,2,9-10H2,1,3H3
InChIKey SBOZNIQSRGOZAG-UHFFFAOYSA-N
Molecular Weight 292.331 g/mol
SMILES OC(C(C(=O)OC)=C)CCC(OC(=O)c1ccccc1)C
SPLASH splash10-0adi-2900000000-d4299176ad6cdb36e4e6
Source of Spectrum J-50-3855-16
Wiley ID 1295388