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3-Heptanone, 5-methyl-

View entire compound with spectra: 5 NMR, 6 FTIR, 1 Raman, 15 MS (GC), and 2 Near IR

3-Heptanone, 5-methyl-
SpectraBase Compound ID B92rbdsziiO
InChI InChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3
InChIKey PSBKJPTZCVYXSD-UHFFFAOYSA-N
Mol Weight 128.21 g/mol
Molecular Formula C8H16O
Exact Mass 128.120115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FJPgg0jP5ui
Name 5-METHYL-3-HEPTANONE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
CAS Registry Number 541-85-5
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H16O
InChI InChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3
InChIKey PSBKJPTZCVYXSD-UHFFFAOYSA-N
Molecular Weight 128.22
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 3-HEPTANONE, 5-METHYL-,
Web Link http://www.cdc.gov/niosh/npg/npgd0418.html