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trans-4-Phenyl-3-buten-2-one

View entire compound with spectra: 22 NMR, 8 FTIR, 1 Raman, 36 MS (GC), and 2 Near IR

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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3wLw5TNiDMc
Name 4-Phenyl-3-buten-2-one
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 147885
CAS Registry Number 122-57-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
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
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Benzalacetone Benzylideneacetone Methyl styryl ketone
Wiley ID SIAL_13CNMR_001423