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Phenyl (4,6,6-trimethyl-3-cyclohexen-1-yl)methanone

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Phenyl (4,6,6-trimethyl-3-cyclohexen-1-yl)methanone
SpectraBase Compound ID FXAcOi36oSv
InChI InChI=1S/C16H20O/c1-12-9-10-14(16(2,3)11-12)15(17)13-7-5-4-6-8-13/h4-9,14H,10-11H2,1-3H3
InChIKey XONGODULTAIFJD-UHFFFAOYSA-N
Mol Weight 228.33 g/mol
Molecular Formula C16H20O
Exact Mass 228.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JYCi9bzLNHQ
Name Phenyl (4,6,6-trimethyl-3-cyclohexen-1-yl)methanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.151415263 u
Formula C16H20O
InChI InChI=1S/C16H20O/c1-12-9-10-14(16(2,3)11-12)15(17)13-7-5-4-6-8-13/h4-9,14H,10-11H2,1-3H3
InChIKey XONGODULTAIFJD-UHFFFAOYSA-N
Molecular Weight 228.335 g/mol
SMILES C=1(CC(C(CC1)C(=O)C1=CC=CC=C1)(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.813226