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3-Heptanone, 2,2,6-trimethyl-6-nitro-
SpectraBase Compound ID KA1AlqVOJrf
InChI InChI=1S/C10H19NO3/c1-7(2)8(11(13)14)6-9(12)10(3,4)5/h7-8H,6H2,1-5H3
InChIKey IXTFAGMXGHNIBW-UHFFFAOYSA-N
Mol Weight 201.27 g/mol
Molecular Formula C10H19NO3
Exact Mass 201.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1aC8MJbgcED
Name 3-Heptanone, 2,2,6-trimethyl-6-nitro-
CAS Registry Number 61924-14-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H19NO3
InChI InChI=1S/C10H19NO3/c1-7(2)8(11(13)14)6-9(12)10(3,4)5/h7-8H,6H2,1-5H3
InChIKey IXTFAGMXGHNIBW-UHFFFAOYSA-N
Molecular Weight 201.266 g/mol
SMILES C(N(=O)=O)(CC(C(C)(C)C)=O)C(C)C
SPLASH splash10-0aor-9000000000-c4d9c3e0e8073bb6cd12
Source of Spectrum B-29-2564-0
Synonyms 2,2,6-trimethyl-5-nitro-3-heptanone 2,2,6-Trimethyl-5-nitroheptan-3-one 2,2,6-Trimethyl-6-nitroheptan-3-one
Wiley ID 1198694