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(R,S)-1,5-Diphenyl-4-methyl-6-nitrohexane-3-one
SpectraBase Compound ID LJjhOpl7fcy
InChI InChI=1S/C19H21NO3/c1-15(19(21)13-12-16-8-4-2-5-9-16)18(14-20(22)23)17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3/t15-,18+/m1/s1
InChIKey AJNOSBZNTIXHJH-QAPCUYQASA-N
Mol Weight 311.38 g/mol
Molecular Formula C19H21NO3
Exact Mass 311.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4O6hWjb3R2
Name (R,S)-1,5-Diphenyl-4-methyl-6-nitrohexane-3-one
Alternate Name(s) (4R,5S)-4-methyl-6-nitro-1,5-diphenyl-3-hexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO3
InChI InChI=1S/C19H21NO3/c1-15(19(21)13-12-16-8-4-2-5-9-16)18(14-20(22)23)17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3/t15-,18+/m1/s1
InChIKey AJNOSBZNTIXHJH-QAPCUYQASA-N
Molecular Weight 311.381 g/mol
SMILES C(N(=O)=O)[C@@]([C@](C(=O)CCc1ccccc1)(C)[H])(c1ccccc1)[H]
SPLASH splash10-052f-8900000000-aefb1ab0a72324b94670
Source of Spectrum HE-1999-749-8
Wiley ID 1613453