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3-[(3S*)-3'-Nitro-2'-(3"-fluorophenyl)chroman-4'-yl]-1H-indole
SpectraBase Compound ID Fw9whNPrO2m
InChI InChI=1S/C23H17FN2O3/c24-15-7-5-6-14(12-15)23-22(26(27)28)21(17-9-2-4-11-20(17)29-23)18-13-25-19-10-3-1-8-16(18)19/h1-13,21-23,25H
InChIKey JILWCLUGJOILNR-UHFFFAOYSA-N
Mol Weight 388.4 g/mol
Molecular Formula C23H17FN2O3
Exact Mass 388.122321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8H7PYObHC8h
Name 3-[(3S*)-3'-Nitro-2'-(3"-fluorophenyl)chroman-4'-yl]-1H-indole
Alternate Name(s) 3-[(3R*)-3'-Nitro-2'-(3""-fluorophenyl)chroman-4'-yl]-1H-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H17FN2O3
InChI InChI=1S/C23H17FN2O3/c24-15-7-5-6-14(12-15)23-22(26(27)28)21(17-9-2-4-11-20(17)29-23)18-13-25-19-10-3-1-8-16(18)19/h1-13,21-23,25H
InChIKey JILWCLUGJOILNR-UHFFFAOYSA-N
Molecular Weight 388.398 g/mol
SMILES [nH]1c2c(c(c1)C1C(C(Oc3c1cccc3)c1cc(F)ccc1)N(=O)=O)cccc2
SPLASH splash10-00fr-0191000000-c4d61a705b9ec8202543
Source of Spectrum U1-2009-4510-2a'
Wiley ID 1696927