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3,5-Heptanedione, 4-methyl-1-nitro-
SpectraBase Compound ID Jz94BBW8E8I
InChI InChI=1S/C8H13NO4/c1-3-7(10)6(2)8(11)4-5-9(12)13/h6H,3-5H2,1-2H3
InChIKey HVXSMBVGUWLSCW-UHFFFAOYSA-N
Mol Weight 187.19 g/mol
Molecular Formula C8H13NO4
Exact Mass 187.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8spjYhPq1Ld
Name 3,5-Heptanedione, 4-methyl-1-nitro-
CAS Registry Number 62250-63-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13NO4
InChI InChI=1S/C8H13NO4/c1-3-7(10)6(2)8(11)4-5-9(12)13/h6H,3-5H2,1-2H3
InChIKey HVXSMBVGUWLSCW-UHFFFAOYSA-N
Molecular Weight 187.195 g/mol
SMILES C(=O)(CC)C(C)C(=O)CCN(=O)=O
SPLASH splash10-0a4i-9200000000-b75e867bc6bda1848df9
Source of Spectrum H-64-729-0
Synonyms 4-Methyl-1-nitro-3,5-heptanedione 4-Methyl-1-nitro-heptane-3,5-dione
Wiley ID 1183663