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Benzoic acid, 3-(5-hydroxy-1-pentenyl)-, methyl ester, (Z)-
SpectraBase Compound ID HL4Wfan3e9Z
InChI InChI=1S/C13H16O3/c1-16-13(15)12-8-5-7-11(10-12)6-3-2-4-9-14/h3,5-8,10,14H,2,4,9H2,1H3/b6-3-
InChIKey HYISKXYYBMOLGU-UTCJRWHESA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4gsiHGDRb18
Name Benzoic acid, 3-(5-hydroxy-1-pentenyl)-, methyl ester, (Z)-
CAS Registry Number 114324-41-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-16-13(15)12-8-5-7-11(10-12)6-3-2-4-9-14/h3,5-8,10,14H,2,4,9H2,1H3/b6-3-
InChIKey HYISKXYYBMOLGU-UTCJRWHESA-N
Molecular Weight 220.268 g/mol
SMILES OCCC\C=C/c1cc(C(=O)OC)ccc1
SPLASH splash10-00mo-5900000000-677851120384e1613383
Source of Spectrum J-53-2549-9
Synonyms (Z)-1-(3-carboxyphenyl)-5-hydroxypent-1-ene methyl ester Methyl 3-[(1Z)-5-hydroxy-1-pentenyl]benzoate
Wiley ID 1219915