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2-Pentanone

View entire compound with spectra: 76 NMR, 16 FTIR, 1 Raman, 34 MS (GC), and 2 Near IR

2-Pentanone
SpectraBase Compound ID 87Ud5cE2m4v
InChI InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
InChIKey XNLICIUVMPYHGG-UHFFFAOYSA-N
Mol Weight 86.13 g/mol
Molecular Formula C5H10O
Exact Mass 86.073165 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JU0MhVu2Bp2
Name 2-PENTANONE
Source of Sample Union Carbide Corporation, New York, New York
Boiling Point 100-101C
CAS Registry Number 107-87-9
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H10O
InChI InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
InChIKey XNLICIUVMPYHGG-UHFFFAOYSA-N
Molecular Weight 86.13
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms KETONE, METHYL PROPYL,
Web Link http://www.cdc.gov/niosh/npg/npgd0488.html