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3-(3-hydroxypropyl)benzoic acid ethyl ester
SpectraBase Compound ID KAuRlzGgfiM
InChI InChI=1S/C12H16O3/c1-2-15-12(14)11-7-3-5-10(9-11)6-4-8-13/h3,5,7,9,13H,2,4,6,8H2,1H3
InChIKey KDNRORPWXYEAJV-UHFFFAOYSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9d4ZP6J1XpD
Name 3-(3-hydroxypropyl)benzoic acid ethyl ester
Alternate Name(s) Ethyl 3-(3-hydroxypropyl)benzoate Ethyl 3-(3-oxidanylpropyl)benzoate
CAS Registry Number 114837-80-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-2-15-12(14)11-7-3-5-10(9-11)6-4-8-13/h3,5,7,9,13H,2,4,6,8H2,1H3
InChIKey KDNRORPWXYEAJV-UHFFFAOYSA-N
Molecular Weight 208.257 g/mol
SMILES OCCCc1cc(C(=O)OCC)ccc1
SPLASH splash10-03xu-3900000000-7906cbe5029dff181e84
Source of Spectrum J-53-3217-40
Wiley ID 1206905