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2,5-Cyclohexadiene-1-carboxylic acid, 3-[2-(1,3-dioxolan-2-yl)ethyl]-1-methyl-, (.+-.)-
SpectraBase Compound ID 1IIwNc65gNl
InChI InChI=1S/C13H18O4/c1-13(12(14)15)6-2-3-10(9-13)4-5-11-16-7-8-17-11/h2,6,9,11H,3-5,7-8H2,1H3,(H,14,15)
InChIKey SJBNQCYZDWUSNX-UHFFFAOYSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8to4VAzaYy
Name 2,5-Cyclohexadiene-1-carboxylic acid, 3-[2-(1,3-dioxolan-2-yl)ethyl]-1-methyl-, (.+-.)-
CAS Registry Number 114837-84-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-13(12(14)15)6-2-3-10(9-13)4-5-11-16-7-8-17-11/h2,6,9,11H,3-5,7-8H2,1H3,(H,14,15)
InChIKey SJBNQCYZDWUSNX-UHFFFAOYSA-N
Molecular Weight 238.283 g/mol
SMILES OC(C1(C=C(CCC2OCCO2)CC=C1)C)=O
SPLASH splash10-0ac0-3900000000-d5c20d5412d47b7d875a
Source of Spectrum J-53-3217-44
Synonyms 3-[2-(1,3-dioxolan-2-yl)ethyl]-1-methyl-2,5-cyclohexadiene-1-carboxylic acid
Wiley ID 1240516