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2-Methyl-3-[(3S*)-3'-nitro-2'-(p-methoxyphenyl)chroman-4'-yl]-1H-indole
SpectraBase Compound ID Fs7R7Zhfa83
InChI InChI=1S/C25H22N2O4/c1-15-22(18-7-3-5-9-20(18)26-15)23-19-8-4-6-10-21(19)31-25(24(23)27(28)29)16-11-13-17(30-2)14-12-16/h3-14,23-26H,1-2H3
InChIKey GXTOQTUDINOOHJ-UHFFFAOYSA-N
Mol Weight 414.46 g/mol
Molecular Formula C25H22N2O4
Exact Mass 414.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYEDAngKvFR
Name 2-Methyl-3-[(3S*)-3'-nitro-2'-(p-methoxyphenyl)chroman-4'-yl]-1H-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22N2O4
InChI InChI=1S/C25H22N2O4/c1-15-22(18-7-3-5-9-20(18)26-15)23-19-8-4-6-10-21(19)31-25(24(23)27(28)29)16-11-13-17(30-2)14-12-16/h3-14,23-26H,1-2H3
InChIKey GXTOQTUDINOOHJ-UHFFFAOYSA-N
Molecular Weight 414.461 g/mol
SMILES [nH]1c2c(c(c1C)C1C(N(=O)=O)C(Oc3c1cccc3)c1ccc(cc1)OC)cccc2
SPLASH splash10-000i-0190100000-09af0079be997e15e5d7
Source of Spectrum U1-2009-4512-17a
Wiley ID 1696908