Methyl 1-benzoyl-1,2,2a,3,4,5-hexahydro-5-oxobenz[cd]indol-4-ylcarbamate

SpectraBase Compound ID	lKtAjftqs7
InChI	InChI=1S/C20H18N2O4/c1-26-20(25)21-15-10-13-11-22(19(24)12-6-3-2-4-7-12)16-9-5-8-14(17(13)16)18(15)23/h2-9,13,15H,10-11H2,1H3,(H,21,25)
InChIKey	JPOVOEVLNGQIAF-UHFFFAOYSA-N Google Search
Mol Weight	350.37 g/mol
Molecular Formula	C20H18N2O4
Exact Mass	350.126657 g/mol

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SpectraBase Spectrum ID	DIk8rzOUmsi
Name	Methyl 1-benzoyl-1,2,2A,3,4,5-hexahydro-5-oxobenz[cd]indol-4-ylcarbamate
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	350.126657064 u
Formula	C20H18N2O4
InChI	InChI=1S/C20H18N2O4/c1-26-20(25)21-15-10-13-11-22(19(24)12-6-3-2-4-7-12)16-9-5-8-14(17(13)16)18(15)23/h2-9,13,15H,10-11H2,1H3,(H,21,25)
InChIKey	JPOVOEVLNGQIAF-UHFFFAOYSA-N
Molecular Weight	350.374 g/mol
SMILES	C1=2N(CC3CC(C(C(C23)=CC=C1)=O)NC(=O)OC)C(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.963706