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1-(2,6-Dimethylphenyl)-2-propenyl pivalate
SpectraBase Compound ID 5holGyy9KHj
InChI InChI=1S/C16H22O2/c1-7-13(18-15(17)16(4,5)6)14-11(2)9-8-10-12(14)3/h7-10,13H,1H2,2-6H3
InChIKey HUSBAUBYMRZZOH-UHFFFAOYSA-N
Mol Weight 246.35 g/mol
Molecular Formula C16H22O2
Exact Mass 246.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2l2U7ncMsK
Name 1-(2,6-Dimethylphenyl)-2-propenyl pivalate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.161979946 u
Formula C16H22O2
InChI InChI=1S/C16H22O2/c1-7-13(18-15(17)16(4,5)6)14-11(2)9-8-10-12(14)3/h7-10,13H,1H2,2-6H3
InChIKey HUSBAUBYMRZZOH-UHFFFAOYSA-N
Instrument Name Agilent 6890N/5975B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201602252
Molecular Weight 246.350 g/mol
Quality 190
SMILES C=1(C(OC(=O)C(C)(C)C)C=C)C(=CC=CC1C)C
SPLASH splash10-056s-2900000000-4e5e56eef5c4df37f0fd
Source of Spectrum ACI-55-SM6-2'k (DOI: 10.1002/anie.201602252)
Thin-Layer Chromatography 0.12 (hexane)
Wiley ID 1900959