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Trans-3-isopropyl-4-methyl-1-cyclopentanone

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

Trans-3-isopropyl-4-methyl-1-cyclopentanone
SpectraBase Compound ID LHvPcBGg2yX
InChI InChI=1S/C9H16O/c1-6(2)9-5-8(10)4-7(9)3/h6-7,9H,4-5H2,1-3H3/t7-,9+/m0/s1
InChIKey ZSJYDJKNHUAXRU-IONNQARKSA-N
Mol Weight 140.23 g/mol
Molecular Formula C9H16O
Exact Mass 140.120115 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9Mv0MZQ6gEk
Name Trans-3-isopropyl-4-methyl-1-cyclopentanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 140.120115134 u
Formula C9H16O
InChI InChI=1S/C9H16O/c1-6(2)9-5-8(10)4-7(9)3/h6-7,9H,4-5H2,1-3H3/t7-,9+/m0/s1
InChIKey ZSJYDJKNHUAXRU-IONNQARKSA-N
Molecular Weight 140.226 g/mol
SMILES [C@@]1([C@](CC(C1)=O)(C)[H])(C(C)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971362