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Benzoic acid, 3-[2-(1,3-dioxolan-2-yl)ethyl]-
SpectraBase Compound ID 8rZqTr7Cf3R
InChI InChI=1S/C12H14O4/c13-12(14)10-3-1-2-9(8-10)4-5-11-15-6-7-16-11/h1-3,8,11H,4-7H2,(H,13,14)
InChIKey RKECRNBYPMUPRX-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JF87imOewSS
Name Benzoic acid, 3-[2-(1,3-dioxolan-2-yl)ethyl]-
CAS Registry Number 114837-83-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c13-12(14)10-3-1-2-9(8-10)4-5-11-15-6-7-16-11/h1-3,8,11H,4-7H2,(H,13,14)
InChIKey RKECRNBYPMUPRX-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES OC(c1cc(CCC2OCCO2)ccc1)=O
SPLASH splash10-00di-9200000000-352113ebf964f4bb751d
Source of Spectrum J-53-3217-43
Synonyms 3-[2-(1,3-dioxolan-2-yl)ethyl]benzoic acid
Wiley ID 1222267