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2,4,4-Trimethyl-cyclopentanone

View entire compound with spectra: 11 NMR, 5 FTIR, 1 Raman, and 1 MS (GC)

2,4,4-Trimethyl-cyclopentanone
SpectraBase Compound ID 95skVO0Ai1X
InChI InChI=1S/C8H14O/c1-6-4-8(2,3)5-7(6)9/h6H,4-5H2,1-3H3
InChIKey OXTQEWUBDTVSFB-UHFFFAOYSA-N
Mol Weight 126.2 g/mol
Molecular Formula C8H14O
Exact Mass 126.104465 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4R287xoVSA6
Name 2,4,4-Trimethylcyclopentanone
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 390771
CAS Registry Number 4694-12-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O
InChI InChI=1S/C8H14O/c1-6-4-8(2,3)5-7(6)9/h6H,4-5H2,1-3H3
InChIKey OXTQEWUBDTVSFB-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_008544