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3-Hexanone, 2,5-dimethyl-4-nitro-
SpectraBase Compound ID 4jGmskcejuu
InChI InChI=1S/C8H15NO3/c1-5(2)7(9(11)12)8(10)6(3)4/h5-7H,1-4H3
InChIKey MOADJHPMFUMYQC-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 6f8uD4O8sqc
Name 2,5-Dimethyl-4-nitro-3-hexanone
CAS Registry Number 59906-54-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H15NO3
InChI InChI=1S/C8H15NO3/c1-5(2)7(9(11)12)8(10)6(3)4/h5-7H,1-4H3
InChIKey MOADJHPMFUMYQC-UHFFFAOYSA-N
Molecular Weight 173.212 g/mol
SMILES C(N(=O)=O)(C(C(C)C)=O)C(C)C
SPLASH splash10-006x-9000000000-603e0c6766171270012f
Synonyms 2,5-Dimethyl-4-nitro-hexan-3-one 3-Hexanone, 2,5-dimethyl-4-nitro-
Wiley ID 1489476