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1-(2-Methylphenyl)-2-propenyl pivalate
SpectraBase Compound ID IiCeezJXId1
InChI InChI=1S/C15H20O2/c1-6-13(17-14(16)15(3,4)5)12-10-8-7-9-11(12)2/h6-10,13H,1H2,2-5H3
InChIKey HFFWOOBVCUTEPJ-UHFFFAOYSA-N
Mol Weight 232.32 g/mol
Molecular Formula C15H20O2
Exact Mass 232.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5gd0DwMOsOd
Name 1-(2-Methylphenyl)-2-propenyl pivalate
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.146329882 u
Formula C15H20O2
InChI InChI=1S/C15H20O2/c1-6-13(17-14(16)15(3,4)5)12-10-8-7-9-11(12)2/h6-10,13H,1H2,2-5H3
InChIKey HFFWOOBVCUTEPJ-UHFFFAOYSA-N
Instrument Name Agilent 6890N/5975B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201602252
Molecular Weight 232.323 g/mol
Quality 151
SMILES C=1C=CC=C(C1C(OC(=O)C(C)(C)C)C=C)C
SPLASH splash10-001i-4900000000-25d8174ca8bda9cadd0b
Source of Spectrum ACI-55-SM4-2'd (DOI: 10.1002/anie.201602252)
Thin-Layer Chromatography 0.38 (hexane/ethyl acetate, 20:1)
Wiley ID 1900957