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3,3-Dimethyl-1-(3,5,5-trimethyl-1-cyclohex-2-enyl)-2-butanone

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

3,3-Dimethyl-1-(3,5,5-trimethyl-1-cyclohex-2-enyl)-2-butanone
SpectraBase Compound ID dVuOjAi3Aw
InChI InChI=1S/C15H26O/c1-11-7-12(10-15(5,6)9-11)8-13(16)14(2,3)4/h7,12H,8-10H2,1-6H3
InChIKey MQMBKGNZBXBIMZ-UHFFFAOYSA-N
Mol Weight 222.37 g/mol
Molecular Formula C15H26O
Exact Mass 222.198365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AN4COnmk8fZ
Name 3,3-Dimethyl-1-(3,5,5-trimethyl-1-cyclohex-2-enyl)-2-butanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.198365456 u
Formula C15H26O
InChI InChI=1S/C15H26O/c1-11-7-12(10-15(5,6)9-11)8-13(16)14(2,3)4/h7,12H,8-10H2,1-6H3
InChIKey MQMBKGNZBXBIMZ-UHFFFAOYSA-N
Molecular Weight 222.372 g/mol
SMILES C(C(C)(C)C)(CC1C=C(C)CC(C1)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.980943