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4-(4-nitrophenyl)-2-(1-piperidinyl)-5,6-dihydro-4H-benzo[h][1]benzopyran-3-carboxylic acid methyl ester
SpectraBase Compound ID 9GEjiODvpOP
InChI InChI=1S/C26H26N2O5/c1-32-26(29)23-22(18-9-12-19(13-10-18)28(30)31)21-14-11-17-7-3-4-8-20(17)24(21)33-25(23)27-15-5-2-6-16-27/h3-4,7-10,12-13,22H,2,5-6,11,14-16H2,1H3
InChIKey KZVHTQROAFTMNX-UHFFFAOYSA-N
Mol Weight 446.5 g/mol
Molecular Formula C26H26N2O5
Exact Mass 446.184172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LTquIT0nQ2M
Name 4-(4-nitrophenyl)-2-(1-piperidinyl)-5,6-dihydro-4H-benzo[h][1]benzopyran-3-carboxylic acid methyl ester
Alternate Name(s) 4-(4-nitrophenyl)-2-piperidino-5,6-dihydro-4H-benzo[h]chromene-3-carboxylic acid methyl ester Methyl 4-(4-nitrophenyl)-2-(1-piperidyl)-5,6-dihydro-4H-benzo[h]chromene-3-carboxylate Methyl 4-(4-nitrophenyl)-2-piperidin-1-yl-5,6-dihydro-4H-benzo[h]chromene-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26N2O5
InChI InChI=1S/C26H26N2O5/c1-32-26(29)23-22(18-9-12-19(13-10-18)28(30)31)21-14-11-17-7-3-4-8-20(17)24(21)33-25(23)27-15-5-2-6-16-27/h3-4,7-10,12-13,22H,2,5-6,11,14-16H2,1H3
InChIKey KZVHTQROAFTMNX-UHFFFAOYSA-N
Molecular Weight 446.503 g/mol
SMILES C1(=C(OC2=C(C1c1ccc(N(=O)=O)cc1)CCc1ccccc21)N1CCCCC1)C(=O)OC
SPLASH splash10-0002-0000900000-0bde4f6601e54a09c31c
Source of Spectrum KC-0-3058-9
Wiley ID 780392