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3-(4-Methoxyphenyl)-2-methyl-5-propyl-1-cyclopentanone

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

3-(4-Methoxyphenyl)-2-methyl-5-propyl-1-cyclopentanone
SpectraBase Compound ID LorE5IblsIw
InChI InChI=1S/C16H22O2/c1-4-5-13-10-15(11(2)16(13)17)12-6-8-14(18-3)9-7-12/h6-9,11,13,15H,4-5,10H2,1-3H3
InChIKey FIUHBRQSASEQGG-UHFFFAOYSA-N
Mol Weight 246.35 g/mol
Molecular Formula C16H22O2
Exact Mass 246.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KFp84Hcx2gu
Name 3-(4-Methoxyphenyl)-2-methyl-5-propyl-1-cyclopentanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.161979946 u
Formula C16H22O2
InChI InChI=1S/C16H22O2/c1-4-5-13-10-15(11(2)16(13)17)12-6-8-14(18-3)9-7-12/h6-9,11,13,15H,4-5,10H2,1-3H3
InChIKey FIUHBRQSASEQGG-UHFFFAOYSA-N
Molecular Weight 246.350 g/mol
SMILES C1(C(C(C2=CC=C(C=C2)OC)CC1CCC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.869435