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trans-2,4-DIMETHYLCYCLOPENTANONE

View entire compound with spectra: 8 NMR, 3 FTIR, and 2 MS (GC)

trans-2,4-DIMETHYLCYCLOPENTANONE
SpectraBase Compound ID IXJAZvNMCNt
InChI InChI=1S/C7H12O/c1-5-3-6(2)7(8)4-5/h5-6H,3-4H2,1-2H3
InChIKey UKJQTRVEZWBIRE-UHFFFAOYSA-N
Mol Weight 112.17 g/mol
Molecular Formula C7H12O
Exact Mass 112.088815 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CVuwcQ7MlCg
Name (+/-)-2,4-Dimethylcyclopentanone
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 268933
CAS Registry Number 1121-33-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O
InChI InChI=1S/C7H12O/c1-5-3-6(2)7(8)4-5/h5-6H,3-4H2,1-2H3
InChIKey UKJQTRVEZWBIRE-UHFFFAOYSA-N
Molecular Weight 112.170 g/mol
Purity 99%,MIXTURE OF CIS AND TRANS
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_VP-FTIR_002763