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3-Methyl-2-pentanone

View entire compound with spectra: 6 NMR, 7 FTIR, 1 Raman, and 22 MS (GC)

3-Methyl-2-pentanone
SpectraBase Compound ID ATcLOBcmBCr
InChI InChI=1S/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3
InChIKey UIHCLUNTQKBZGK-UHFFFAOYSA-N
Mol Weight 100.16 g/mol
Molecular Formula C6H12O
Exact Mass 100.088815 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JWkCXpxsFO9
Name 3-Methyl-2-pentanone
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number M67001
CAS Registry Number 565-61-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O
InChI InChI=1S/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3
InChIKey UIHCLUNTQKBZGK-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms sec-Butyl methyl ketone; Methyl sec-butyl ketone
Wiley ID SIAL_13CNMR_012361