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(1R,5R,6R)-5-Isopropyl-2-methyl-bicyclo[4.2.0]oct-2-en-7-one

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

(1R,5R,6R)-5-Isopropyl-2-methyl-bicyclo[4.2.0]oct-2-en-7-one
SpectraBase Compound ID 7XMSUR0DTQk
InChI InChI=1S/C12H18O/c1-7(2)9-5-4-8(3)10-6-11(13)12(9)10/h4,7,9-10,12H,5-6H2,1-3H3/t9-,10+,12-/m1/s1
InChIKey OWLJLPZYXYNYAF-JFGNBEQYSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1C7oCnahBIU
Name (1R,5R,6R)-5-Isopropyl-2-methyl-bicyclo[4.2.0]oct-2-en-7-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 178.135765199 u
Formula C12H18O
InChI InChI=1S/C12H18O/c1-7(2)9-5-4-8(3)10-6-11(13)12(9)10/h4,7,9-10,12H,5-6H2,1-3H3/t9-,10+,12-/m1/s1
InChIKey OWLJLPZYXYNYAF-JFGNBEQYSA-N
Molecular Weight 178.275 g/mol
SMILES [C@]12([C@](C(=O)C2)([C@](CC=C1C)(C(C)C)[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907719