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1-(2-isopropylphenyl)prop-2-en-1-one
SpectraBase Compound ID L7evzlBJ7os
InChI InChI=1S/C12H14O/c1-4-12(13)11-8-6-5-7-10(11)9(2)3/h4-9H,1H2,2-3H3
InChIKey ZTFLOELXEINNCX-UHFFFAOYSA-N
Mol Weight 174.24 g/mol
Molecular Formula C12H14O
Exact Mass 174.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DnEChKhfN6t
Name 1-(2-isopropylphenyl)prop-2-en-1-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 174.104465070 u
Formula C12H14O
InChI InChI=1S/C12H14O/c1-4-12(13)11-8-6-5-7-10(11)9(2)3/h4-9H,1H2,2-3H3
InChIKey ZTFLOELXEINNCX-UHFFFAOYSA-N
Instrument Name Finnigan MAT95Q or Finnigan MAT90
Ionization Type EI
Literature Reference DOI 10.1002/anie.201708178
Molecular Weight 174.243 g/mol
Quality 61
Reported Formula C12H14O
SMILES C1=C(C(=CC=C1)C(=O)C=C)C(C)C
SPLASH splash10-0a4i-0900000000-4868d871c77c3fb0cdae
Source of Spectrum ACI-56-SM6-5 (DOI: 10.1002/anie.201708178)
Thin-Layer Chromatography 0.12 (iHex)
Wiley ID 1896516