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4-Methyl-3-(1'-methylindol-3'-yl)-4-nitro-1-phenylpentan-1-one
SpectraBase Compound ID 1xhDRiV0xlg
InChI InChI=1S/C21H22N2O3/c1-21(2,23(25)26)18(13-20(24)15-9-5-4-6-10-15)17-14-22(3)19-12-8-7-11-16(17)19/h4-12,14,18H,13H2,1-3H3
InChIKey HXCCARFLFKBTMY-UHFFFAOYSA-N
Mol Weight 350.42 g/mol
Molecular Formula C21H22N2O3
Exact Mass 350.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dcg0Og7knpP
Name 4-Methyl-3-(1'-methylindol-3'-yl)-4-nitro-1-phenylpentan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O3
InChI InChI=1S/C21H22N2O3/c1-21(2,23(25)26)18(13-20(24)15-9-5-4-6-10-15)17-14-22(3)19-12-8-7-11-16(17)19/h4-12,14,18H,13H2,1-3H3
InChIKey HXCCARFLFKBTMY-UHFFFAOYSA-N
Molecular Weight 350.418 g/mol
SMILES c1(C(C(N(=O)=O)(C)C)CC(=O)c2ccccc2)c[n](C)c2c1cccc2
SPLASH splash10-0a4i-0910000000-abd36a5e9e28131f7a88
Source of Spectrum B-45-611-0
Synonyms 4-Methyl-3-(1-methyl-1H-indol-3-yl)-4-nitro-1-phenyl-1-pentanone
Wiley ID 1342096