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Benzoic acid, 3-(5-hydroxy-1-pentenyl)-, methyl ester, (E)-
SpectraBase Compound ID 6RmviZ09Nue
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-ZZXKWVIFSA-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 9n7sSKs5Lj2
Name Benzoic acid, 3-(5-hydroxy-1-pentenyl)-, methyl ester, (E)-
Alternate Name(s) Methyl 3-[(1E)-5-hydroxy-1-pentenyl]benzoate 3-[(E)-5-hydroxypent-1-enyl]benzoic acid methyl ester Methyl 3-[(E)-5-hydroxypent-1-enyl]benzoate Methyl 3-[(E)-5-oxidanylpent-1-enyl]benzoate
CAS Registry Number 114324-40-2
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-ZZXKWVIFSA-N
Molecular Weight 220.268 g/mol
SMILES OCCC\C=C\c1cccc(C(OC)=O)c1
SPLASH splash10-00ou-5900000000-54942bec08644f6e31e7
Source of Spectrum J-53-2549-9
Wiley ID 1219916