Ethyl 5-Benzyl-5,6-dihydro-6-oxobenzo[c]phenanthridine-2-carboxylate

SpectraBase Compound ID	Btyq2HmnpL0
InChI	InChI=1S/C27H21NO3/c1-2-31-27(30)24-14-8-13-21-20(24)15-16-22-19-11-6-7-12-23(19)26(29)28(25(21)22)17-18-9-4-3-5-10-18/h3-16H,2,17H2,1H3
InChIKey	LHQCREYFCNLXEU-UHFFFAOYSA-N Google Search
Mol Weight	407.47 g/mol
Molecular Formula	C27H21NO3
Exact Mass	407.152144 g/mol

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SpectraBase Spectrum ID	84EPxCSgiV3
Name	Ethyl 5-benzyl-5,6-dihydro-6-oxobenzo[C]phenanthridine-2-carboxylate
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	407.152143537 u
Formula	C27H21NO3
InChI	InChI=1S/C27H21NO3/c1-2-31-27(30)24-14-8-13-21-20(24)15-16-22-19-11-6-7-12-23(19)26(29)28(25(21)22)17-18-9-4-3-5-10-18/h3-16H,2,17H2,1H3
InChIKey	LHQCREYFCNLXEU-UHFFFAOYSA-N
Molecular Weight	407.469 g/mol
SMILES	C=12N(C(C3=C(C2=CC=C2C1C=CC=C2C(=O)OCC)C=CC=C3)=O)CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.843871