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tert-Butyl (2E)-3-(3-methylphenyl)-2-propenoate
SpectraBase Compound ID DWUgqVKinPj
InChI InChI=1S/C14H18O2/c1-11-6-5-7-12(10-11)8-9-13(15)16-14(2,3)4/h5-10H,1-4H3/b9-8+
InChIKey BHHQJJIXLWVLTF-CMDGGOBGSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BDT7aKjLL8H
Name tert-Butyl (2E)-3-(3-methylphenyl)-2-propenoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-11-6-5-7-12(10-11)8-9-13(15)16-14(2,3)4/h5-10H,1-4H3/b9-8+
InChIKey BHHQJJIXLWVLTF-CMDGGOBGSA-N
Instrument Name ThermoScientific Focus DSQ II GC/MS
Ionization Type EI positive ion
Literature Reference DOI 10.1002/adsc.202100677
Molecular Weight 218.296 g/mol
SMILES c1(cc(ccc1)\C=C\C(OC(C)(C)C)=O)C
SPLASH splash10-0292-1900000000-34f9869e1597c3953062
Source of Spectrum ASC-363-SM13-m-12a
Wiley ID 1851333