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Benzoic acid, 3-[2-(1,3-dioxolan-2-yl)ethyl]-, ethyl ester
SpectraBase Compound ID 3yRslKVfAzN
InChI InChI=1S/C14H18O4/c1-2-16-14(15)12-5-3-4-11(10-12)6-7-13-17-8-9-18-13/h3-5,10,13H,2,6-9H2,1H3
InChIKey WNULYYSZRJEKHM-UHFFFAOYSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JOntXYrBhAz
Name Benzoic acid, 3-[2-(1,3-dioxolan-2-yl)ethyl]-, ethyl ester
Alternate Name(s) Ethyl 3-[2-(1,3-dioxolan-2-yl)ethyl]benzoate
CAS Registry Number 114837-82-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-2-16-14(15)12-5-3-4-11(10-12)6-7-13-17-8-9-18-13/h3-5,10,13H,2,6-9H2,1H3
InChIKey WNULYYSZRJEKHM-UHFFFAOYSA-N
Molecular Weight 250.294 g/mol
SMILES C(c1cc(CCC2OCCO2)ccc1)(=O)OCC
SPLASH splash10-0fk9-9520000000-2bba391057d241bbbd8b
Source of Spectrum J-53-3217-42
Wiley ID 1253343