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2-Methyl-3-((3S)-4-nitro-1-phenylpentan-3-yl)-1H-indole
SpectraBase Compound ID 2mF8BwUdpwk
InChI InChI=1S/C20H22N2O2/c1-14-20(18-10-6-7-11-19(18)21-14)17(15(2)22(23)24)13-12-16-8-4-3-5-9-16/h3-11,15,17,21H,12-13H2,1-2H3/t15?,17-/m1/s1
InChIKey XAKJVEJKYDRDHI-OMOCHNIRSA-N
Mol Weight 322.41 g/mol
Molecular Formula C20H22N2O2
Exact Mass 322.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QRjpmdQIRx
Name 2-Methyl-3-((3S)-4-nitro-1-phenylpentan-3-yl)-1H-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N2O2
InChI InChI=1S/C20H22N2O2/c1-14-20(18-10-6-7-11-19(18)21-14)17(15(2)22(23)24)13-12-16-8-4-3-5-9-16/h3-11,15,17,21H,12-13H2,1-2H3/t15?,17-/m1/s1
InChIKey XAKJVEJKYDRDHI-OMOCHNIRSA-N
Literature Reference DOI 10.1002/adsc.201100737
Molecular Weight 322.408 g/mol
SMILES [nH]1c(c(c2ccccc12)[C@@](C([N+](=O)[O-])C)(CCc1ccccc1)[H])C
SPLASH splash10-0005-2593000000-f0c45ee4323c57f1e39f
Source of Spectrum ASC-354-1373/SM8-3ia
Wiley ID 1763029