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(E)-4,5-Dimethyl-6-nitro-6-octen-3-one
SpectraBase Compound ID 1l6pODVKaDN
InChI InChI=1S/C10H17NO3/c1-5-9(11(13)14)7(3)8(4)10(12)6-2/h5,7-8H,6H2,1-4H3/b9-5+
InChIKey PWNMCRCHLUEKKU-WEVVVXLNSA-N
Mol Weight 199.25 g/mol
Molecular Formula C10H17NO3
Exact Mass 199.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4kw0wEBb6bS
Name (E)-4,5-Dimethyl-6-nitro-6-octen-3-one
CAS Registry Number 129967-75-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H17NO3
InChI InChI=1S/C10H17NO3/c1-5-9(11(13)14)7(3)8(4)10(12)6-2/h5,7-8H,6H2,1-4H3/b9-5+
InChIKey PWNMCRCHLUEKKU-WEVVVXLNSA-N
Molecular Weight 199.250 g/mol
SMILES C(\C(N(=O)=O)=C/C)(C(C(=O)CC)C)C
SPLASH splash10-0a4i-9200000000-d024ee6ffaa2778654ef
Source of Spectrum C-112-7637-27
Synonyms (6E)-4,5-dimethyl-6-nitro-6-octen-3-one
Wiley ID 1196669