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(rs)-2,3,3A,4,5,6-Hexahydro-phenalen-1-one

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

(rs)-2,3,3A,4,5,6-Hexahydro-phenalen-1-one
SpectraBase Compound ID EhuB2TrL3lC
InChI InChI=1S/C13H14O/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h2,5-6,10H,1,3-4,7-8H2
InChIKey QNRJGJGWMUTXNK-UHFFFAOYSA-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 9fE7TfYTBbB
Name (rs)-2,3,3A,4,5,6-Hexahydro-phenalen-1-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/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h2,5-6,10H,1,3-4,7-8H2
InChIKey QNRJGJGWMUTXNK-UHFFFAOYSA-N
Molecular Weight 186.254 g/mol
SMILES C12=C3C(=O)CCC2CCCC1=CC=C3
Spectrum/Structure Validation Score (Vapor Phase IR) 0.857729