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3-Heptanone, 2,6-dimethyl-6-nitro-5-phenyl-
SpectraBase Compound ID 643lPvDlHsV
InChI InChI=1S/C15H21NO3/c1-11(2)14(17)10-13(15(3,4)16(18)19)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3
InChIKey WMQPNHRMPXUNNU-UHFFFAOYSA-N
Mol Weight 263.34 g/mol
Molecular Formula C15H21NO3
Exact Mass 263.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7cJ4WIAElvc
Name 3-Heptanone, 2,6-dimethyl-6-nitro-5-phenyl-
CAS Registry Number 86984-03-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21NO3
InChI InChI=1S/C15H21NO3/c1-11(2)14(17)10-13(15(3,4)16(18)19)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3
InChIKey WMQPNHRMPXUNNU-UHFFFAOYSA-N
Molecular Weight 263.337 g/mol
SMILES C(N(=O)=O)(C(CC(=O)C(C)C)c1ccccc1)(C)C
SPLASH splash10-00dl-9300000000-5b26ba2df1d84c70c92e
Source of Spectrum B-36-540-0
Synonyms 2,6-Dimethyl-6-nitro-5-phenyl-3-heptanone 2,6-Dimethyl-6-nitro-5-phenylheptan-3-one
Wiley ID 1266954