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(1R,6S)-4,7,7-trimethylbicyclo[4.1.0]hept-3-ene-2,5-dione

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

(1R,6S)-4,7,7-trimethylbicyclo[4.1.0]hept-3-ene-2,5-dione
SpectraBase Compound ID IQfPd0ktsCw
InChI InChI=1S/C10H12O2/c1-5-4-6(11)7-8(9(5)12)10(7,2)3/h4,7-8H,1-3H3/t7-,8-/m1/s1
InChIKey BBRJZZUFDYMNIY-HTQZYQBOSA-N
Mol Weight 164.2 g/mol
Molecular Formula C10H12O2
Exact Mass 164.08373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EXsrSnXMW22
Name (1R,6S)-4,7,7-Trimethylbicyclo[4.1.0]hept-3-ene-2,5-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 164.083729624 u
Formula C10H12O2
InChI InChI=1S/C10H12O2/c1-5-4-6(11)7-8(9(5)12)10(7,2)3/h4,7-8H,1-3H3/t7-,8-/m1/s1
InChIKey BBRJZZUFDYMNIY-HTQZYQBOSA-N
Molecular Weight 164.204 g/mol
SMILES [C@]12(C(C)(C)[C@]2(C(=O)C(=CC1=O)C)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.87984