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5-METHYL-5-NITRO-[2-(13)C]-2-HEXANONE

View entire compound with spectra: 1 NMR, and 2 MS (GC)

5-METHYL-5-NITRO-[2-(13)C]-2-HEXANONE
SpectraBase Compound ID G298RZcLsq0
InChI InChI=1S/C7H13NO3/c1-6(9)4-5-7(2,3)8(10)11/h4-5H2,1-3H3
InChIKey QWHNMIXUSPUHGO-UHFFFAOYSA-N
Mol Weight 159.18 g/mol
Molecular Formula C7H13NO3
Exact Mass 159.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4MjWT0bSF2S
Name 2-Hexanone, 5-methyl-5-nitro-
CAS Registry Number 4604-49-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H13NO3
InChI InChI=1S/C7H13NO3/c1-6(9)4-5-7(2,3)8(10)11/h4-5H2,1-3H3
InChIKey QWHNMIXUSPUHGO-UHFFFAOYSA-N
Molecular Weight 159.185 g/mol
SMILES CC(=O)CCC(C)(C)N(=O)=O
SPLASH splash10-0006-9000000000-56cb7fdff7ce211d0609
Source of Spectrum O-27-741-0
Synonyms 5-Methyl-5-nitro-2-hexanone 5-Methyl-5-nitro-hexan-2-one
Wiley ID 1156100