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4-(4-nitrophenyl)-2-(1-pyrrolidinyl)-5,6-dihydro-4H-benzo[h][1]benzopyran-3-carboxylic acid methyl ester
SpectraBase Compound ID KB4sgm2AhnP
InChI InChI=1S/C25H24N2O5/c1-31-25(28)22-21(17-8-11-18(12-9-17)27(29)30)20-13-10-16-6-2-3-7-19(16)23(20)32-24(22)26-14-4-5-15-26/h2-3,6-9,11-12,21H,4-5,10,13-15H2,1H3
InChIKey ANIAWSTVQKEZHI-UHFFFAOYSA-N
Mol Weight 432.48 g/mol
Molecular Formula C25H24N2O5
Exact Mass 432.168522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HbcQ4K0fU3i
Name 4-(4-nitrophenyl)-2-(1-pyrrolidinyl)-5,6-dihydro-4H-benzo[h][1]benzopyran-3-carboxylic acid methyl ester
Alternate Name(s) 4-(4-nitrophenyl)-2-pyrrolidino-5,6-dihydro-4H-benzo[h]chromene-3-carboxylic acid methyl ester Methyl 4-(4-nitrophenyl)-2-pyrrolidin-1-yl-5,6-dihydro-4H-benzo[h]chromene-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24N2O5
InChI InChI=1S/C25H24N2O5/c1-31-25(28)22-21(17-8-11-18(12-9-17)27(29)30)20-13-10-16-6-2-3-7-19(16)23(20)32-24(22)26-14-4-5-15-26/h2-3,6-9,11-12,21H,4-5,10,13-15H2,1H3
InChIKey ANIAWSTVQKEZHI-UHFFFAOYSA-N
Molecular Weight 432.476 g/mol
SMILES C1(=C(OC2=C(C1c1ccc(N(=O)=O)cc1)CCc1ccccc21)N1CCCC1)C(=O)OC
SPLASH splash10-001i-0001900000-2b24cdc610a5480b4264
Source of Spectrum KC-0-3058-8
Wiley ID 780393