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(E)-5-Nitro-3-isobutylidenehexane-2-one
SpectraBase Compound ID 4j0Sl55FfXQ
InChI InChI=1S/C10H17NO3/c1-7(2)5-10(9(4)12)6-8(3)11(13)14/h5,7-8H,6H2,1-4H3/b10-5+
InChIKey XPTZLSHTGBTPSA-BJMVGYQFSA-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 FKXEG5obe0R
Name (E)-5-Nitro-3-isobutylidenehexane-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H17NO3
InChI InChI=1S/C10H17NO3/c1-7(2)5-10(9(4)12)6-8(3)11(13)14/h5,7-8H,6H2,1-4H3/b10-5+
InChIKey XPTZLSHTGBTPSA-BJMVGYQFSA-N
Molecular Weight 199.250 g/mol
SMILES C(N(=O)=O)(C\C(=C/C(C)C)C(=O)C)C
SPLASH splash10-0kmj-1900000000-8c29883c4f84e7844a26
Source of Spectrum SO-0-297-2
Synonyms (3E)-5-methyl-3-(2-nitropropyl)-3-hexen-2-one
Wiley ID 877325