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(1R,4R,7S)-4,8,8-trimethyl-6-bicyclo[5.1.0]octanone

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

(1R,4R,7S)-4,8,8-trimethyl-6-bicyclo[5.1.0]octanone
SpectraBase Compound ID EqacIdNtjCg
InChI InChI=1S/C11H18O/c1-7-4-5-8-10(9(12)6-7)11(8,2)3/h7-8,10H,4-6H2,1-3H3/t7-,8-,10-/m1/s1
InChIKey IGQNPSKHWXXKPL-NQMVMOMDSA-N
Mol Weight 166.26 g/mol
Molecular Formula C11H18O
Exact Mass 166.135765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 17cTasIgyTf
Name (1R,4R,7S)-4,8,8-Trimethyl-6-bicyclo[5.1.0]octanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 166.135765199 u
Formula C11H18O
InChI InChI=1S/C11H18O/c1-7-4-5-8-10(9(12)6-7)11(8,2)3/h7-8,10H,4-6H2,1-3H3/t7-,8-,10-/m1/s1
InChIKey IGQNPSKHWXXKPL-NQMVMOMDSA-N
Molecular Weight 166.264 g/mol
SMILES C1([C@@]2(CC[C@](CC([C@]12[H])=O)(C)[H])[H])(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940349