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2-Benzyl-5,5-dimethyl-2-cyclohexenone
SpectraBase Compound ID Ks9SaPXn69j
InChI InChI=1S/C15H18O/c1-15(2)9-8-13(14(16)11-15)10-12-6-4-3-5-7-12/h3-8H,9-11H2,1-2H3
InChIKey NNFJQWXYGKKQNJ-UHFFFAOYSA-N
Mol Weight 214.31 g/mol
Molecular Formula C15H18O
Exact Mass 214.135765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LKPjdsyfsVb
Name 2-Benzyl-5,5-dimethyl-2-cyclohexenone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 214.135765199 u
Formula C15H18O
InChI InChI=1S/C15H18O/c1-15(2)9-8-13(14(16)11-15)10-12-6-4-3-5-7-12/h3-8H,9-11H2,1-2H3
InChIKey NNFJQWXYGKKQNJ-UHFFFAOYSA-N
Molecular Weight 214.308 g/mol
SMILES C1(C(=CCC(C1)(C)C)CC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.848566