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4-Benzyloxy-8,9-methylenedioxy-phenanthridine-6-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

4-Benzyloxy-8,9-methylenedioxy-phenanthridine-6-one
SpectraBase Compound ID rfYzQLKNcN
InChI InChI=1S/C21H15NO4/c23-21-16-10-19-18(25-12-26-19)9-15(16)14-7-4-8-17(20(14)22-21)24-11-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,22,23)
InChIKey IONTVHRJUNBQCU-UHFFFAOYSA-N
Mol Weight 345.35 g/mol
Molecular Formula C21H15NO4
Exact Mass 345.100108 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6GmJEFaOYWp
Name 4-Benzyloxy-8,9-methylenedioxy-phenanthridine-6-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.100107963 u
Formula C21H15NO4
InChI InChI=1S/C21H15NO4/c23-21-16-10-19-18(25-12-26-19)9-15(16)14-7-4-8-17(20(14)22-21)24-11-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,22,23)
InChIKey IONTVHRJUNBQCU-UHFFFAOYSA-N
Molecular Weight 345.354 g/mol
SMILES C12=CC3=C(C=C2OCO1)C(NC1=C3C=CC=C1OCC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951096