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(3R,4S)-5-Methyl-4-nitro-1,3-diphenyl-hexan-1-one
SpectraBase Compound ID CkYiOz4Wzgy
InChI InChI=1S/C19H21NO3/c1-14(2)19(20(22)23)17(15-9-5-3-6-10-15)13-18(21)16-11-7-4-8-12-16/h3-12,14,17,19H,13H2,1-2H3/t17-,19+/m1/s1
InChIKey LPEHIOYTRGHYKD-MJGOQNOKSA-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 LADrrDoGKn0
Name (3R,4S)-5-Methyl-4-nitro-1,3-diphenyl-hexan-1-one
Alternate Name(s) (3R,4S)-5-methyl-4-nitro-1,3-diphenyl-1-hexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO3
InChI InChI=1S/C19H21NO3/c1-14(2)19(20(22)23)17(15-9-5-3-6-10-15)13-18(21)16-11-7-4-8-12-16/h3-12,14,17,19H,13H2,1-2H3/t17-,19+/m1/s1
InChIKey LPEHIOYTRGHYKD-MJGOQNOKSA-N
Molecular Weight 311.381 g/mol
SMILES [C@](N(=O)=O)([C@](CC(=O)c1ccccc1)(c1ccccc1)[H])(C(C)C)[H]
SPLASH splash10-0a4i-0900000000-2b46a5002a241926396f
Source of Spectrum J-63-3845-3
Wiley ID 1312612