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trans-4-Phenyl-3-buten-2-one
SpectraBase Compound ID IxPlHMdU0yd
InChI InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+
InChIKey BWHOZHOGCMHOBV-BQYQJAHWSA-N
Mol Weight 146.19 g/mol
Molecular Formula C10H10O
Exact Mass 146.073165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Z0nVWxkwls
Name 4-Phenyl-3-buten-2-one
CAS Registry Number 122-57-6
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 146.073164941 u
Formula C10H10O
InChI InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+
InChIKey BWHOZHOGCMHOBV-BQYQJAHWSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 146.189 g/mol
Nominal Mass 146 u
Quality 974
Retention Index 1070
SMILES C1(\C=C\C(=O)C)=CC=CC=C1
SPLASH splash10-0f7k-2900000000-b9cbceee94532b04f1c4
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms trans-4-phenyl-3-buten-2-one 4-phenylbut-3-en-2-one
Technique GC/MS
Wiley ID DD2024_032295