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2-Penten-1-one, 1-(4-chlorophenyl)-4,4-dimethyl-

View entire compound with spectra: 1 NMR, 2 FTIR, and 1 Raman

2-Penten-1-one, 1-(4-chlorophenyl)-4,4-dimethyl-
SpectraBase Compound ID ABbTGiPij2S
InChI InChI=1S/C13H15ClO/c1-13(2,3)9-8-12(15)10-4-6-11(14)7-5-10/h4-9H,1-3H3/b9-8+
InChIKey NNJDRJPNKTXASA-CMDGGOBGSA-N
Mol Weight 222.71 g/mol
Molecular Formula C13H15ClO
Exact Mass 222.081143 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID IHjsvrSbbzn
Name 2-Penten-1-one, 1-(4-chlorophenyl)-4,4-dimethyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.081142802 u
Formula C13H15ClO
InChI InChI=1S/C13H15ClO/c1-13(2,3)9-8-12(15)10-4-6-11(14)7-5-10/h4-9H,1-3H3/b9-8+
InChIKey NNJDRJPNKTXASA-CMDGGOBGSA-N
Molecular Weight 222.715 g/mol
SMILES C1(=CC=C(C=C1)Cl)C(\C=C\C(C)(C)C)=O
Spectrum/Structure Validation Score (Raman) 0.918981