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2-Heptanone, 6-methyl-5-nitro-
SpectraBase Compound ID EN7dOBBqUqo
InChI InChI=1S/C8H15NO3/c1-6(2)8(9(11)12)5-4-7(3)10/h6,8H,4-5H2,1-3H3
InChIKey JSUUOMHKEBQPOH-UHFFFAOYSA-N
Mol Weight 173.21 g/mol
Molecular Formula C8H15NO3
Exact Mass 173.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JVUrYeDrlH0
Name 2-Heptanone, 6-methyl-5-nitro-
Alternate Name(s) 6-Methyl-5-nitro-2-heptanone 6-Methyl-5-nitro-heptan-2-one
CAS Registry Number 66972-02-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H15NO3
InChI InChI=1S/C8H15NO3/c1-6(2)8(9(11)12)5-4-7(3)10/h6,8H,4-5H2,1-3H3
InChIKey JSUUOMHKEBQPOH-UHFFFAOYSA-N
Molecular Weight 173.212 g/mol
SMILES C(N(=O)=O)(CCC(=O)C)C(C)C
SPLASH splash10-0006-9000000000-8a629fdcf4ba960f17db
Source of Spectrum H-61-987-0
Wiley ID 1169674