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3-Heptanone, 2,2,6-trimethyl-6-nitro-5-phenyl-
SpectraBase Compound ID GDKZESzt2H
InChI InChI=1S/C16H23NO3/c1-15(2,3)14(18)11-13(16(4,5)17(19)20)12-9-7-6-8-10-12/h6-10,13H,11H2,1-5H3
InChIKey XOFXPJOYPYZNHF-UHFFFAOYSA-N
Mol Weight 277.36 g/mol
Molecular Formula C16H23NO3
Exact Mass 277.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4np9YJSfHGz
Name 3-Heptanone, 2,2,6-trimethyl-6-nitro-5-phenyl-
Alternate Name(s) 2,2,6-trimethyl-6-nitro-5-phenyl-3-heptanone 2,2,6-Trimethyl-6-nitro-5-phenylheptan-3-one
CAS Registry Number 43051-88-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23NO3
InChI InChI=1S/C16H23NO3/c1-15(2,3)14(18)11-13(16(4,5)17(19)20)12-9-7-6-8-10-12/h6-10,13H,11H2,1-5H3
InChIKey XOFXPJOYPYZNHF-UHFFFAOYSA-N
Molecular Weight 277.364 g/mol
SMILES C(N(=O)=O)(C(CC(C(C)(C)C)=O)c1ccccc1)(C)C
SPLASH splash10-0pb9-9810000000-230e229974b926d7acb9
Source of Spectrum B-36-541-0
Wiley ID 1281086