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(1R,6S,7R)-7-Phenylbicyclo[4.1.0]heptan-2-one

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

(1R,6S,7R)-7-Phenylbicyclo[4.1.0]heptan-2-one
SpectraBase Compound ID AG3YwoMAKK1
InChI InChI=1S/C13H14O/c14-11-8-4-7-10-12(13(10)11)9-5-2-1-3-6-9/h1-3,5-6,10,12-13H,4,7-8H2/t10-,12+,13-/m0/s1
InChIKey DSLUFAURNFVBBH-UHTWSYAYSA-N
Mol Weight 186.25 g/mol
Molecular Formula C13H14O
Exact Mass 186.104465 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I94GMoXzXyA
Name (1R,6S,7R)-7-Phenylbicyclo[4.1.0]heptan-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 186.104465070 u
Formula C13H14O
InChI InChI=1S/C13H14O/c14-11-8-4-7-10-12(13(10)11)9-5-2-1-3-6-9/h1-3,5-6,10,12-13H,4,7-8H2/t10-,12+,13-/m0/s1
InChIKey DSLUFAURNFVBBH-UHTWSYAYSA-N
Molecular Weight 186.254 g/mol
SMILES [C@@]12([C@](C=3C=CC=CC3)([C@@]1(CCCC2=O)[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918153