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2,5-Cyclohexadiene-1-carboxylic acid, 1-[2-(1,3-dioxolan-2-yl)ethyl]-2,3-dimethyl-, (.+-.)-
SpectraBase Compound ID BIyELEYgQVD
InChI InChI=1S/C14H20O4/c1-10-4-3-6-14(11(10)2,13(15)16)7-5-12-17-8-9-18-12/h3,6,12H,4-5,7-9H2,1-2H3,(H,15,16)
InChIKey QVTMTGUJELRUJS-UHFFFAOYSA-N
Mol Weight 252.31 g/mol
Molecular Formula C14H20O4
Exact Mass 252.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ednm3nnqKDT
Name 2,5-Cyclohexadiene-1-carboxylic acid, 1-[2-(1,3-dioxolan-2-yl)ethyl]-2,3-dimethyl-, (.+-.)-
CAS Registry Number 114837-74-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O4
InChI InChI=1S/C14H20O4/c1-10-4-3-6-14(11(10)2,13(15)16)7-5-12-17-8-9-18-12/h3,6,12H,4-5,7-9H2,1-2H3,(H,15,16)
InChIKey QVTMTGUJELRUJS-UHFFFAOYSA-N
Molecular Weight 252.310 g/mol
SMILES OC(C1(C(=C(C)CC=C1)C)CCC1OCCO1)=O
SPLASH splash10-00kb-6900000000-e5205c22c17401a63513
Source of Spectrum J-53-3216-32
Synonyms 1-[2-(1,3-dioxolan-2-yl)ethyl]-2,3-dimethyl-2,5-cyclohexadiene-1-carboxylic acid
Wiley ID 1255591