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3-[(3R*)-3'-Nitro-6'-methoxy-2'-phenylchroman-4'-yl]-1H-indole
SpectraBase Compound ID L7d6sSdI46y
InChI InChI=1S/C24H20N2O4/c1-29-16-11-12-21-18(13-16)22(19-14-25-20-10-6-5-9-17(19)20)23(26(27)28)24(30-21)15-7-3-2-4-8-15/h2-14,22-25H,1H3
InChIKey ZQQTXQCNDWRUIO-UHFFFAOYSA-N
Mol Weight 400.43 g/mol
Molecular Formula C24H20N2O4
Exact Mass 400.142307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kay2JAHkzia
Name 3-[(3R*)-3'-Nitro-6'-methoxy-2'-phenylchroman-4'-yl]-1H-indole
Alternate Name(s) 3-[(3S*)-3'-Nitro-6'-methoxy-2'-phenylchroman-4'-yl]-1H-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H20N2O4
InChI InChI=1S/C24H20N2O4/c1-29-16-11-12-21-18(13-16)22(19-14-25-20-10-6-5-9-17(19)20)23(26(27)28)24(30-21)15-7-3-2-4-8-15/h2-14,22-25H,1H3
InChIKey ZQQTXQCNDWRUIO-UHFFFAOYSA-N
Molecular Weight 400.434 g/mol
SMILES [nH]1c2c(c(c1)C1C(N(=O)=O)C(Oc3c1cc(OC)cc3)c1ccccc1)cccc2
SPLASH splash10-0zg0-0076900000-81616189d74de832f6ed
Source of Spectrum U1-2009-4511-6a
Wiley ID 1696920