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2-(Benzyloxy)-3-hydroxy-7,8,9,10-tetrahydrophenanthridone

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

2-(Benzyloxy)-3-hydroxy-7,8,9,10-tetrahydrophenanthridone
SpectraBase Compound ID 2nsS22XnsT5
InChI InChI=1S/C20H19NO3/c22-18-11-17-16(14-8-4-5-9-15(14)20(23)21-17)10-19(18)24-12-13-6-2-1-3-7-13/h1-3,6-7,10-11,22H,4-5,8-9,12H2,(H,21,23)
InChIKey GSLCVMFGFCMWOD-UHFFFAOYSA-N
Mol Weight 321.38 g/mol
Molecular Formula C20H19NO3
Exact Mass 321.136493 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID eu8dXbmqTO
Name 2-(Benzyloxy)-3-hydroxy-7,8,9,10-tetrahydrophenanthridone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 321.136493473 u
Formula C20H19NO3
InChI InChI=1S/C20H19NO3/c22-18-11-17-16(14-8-4-5-9-15(14)20(23)21-17)10-19(18)24-12-13-6-2-1-3-7-13/h1-3,6-7,10-11,22H,4-5,8-9,12H2,(H,21,23)
InChIKey GSLCVMFGFCMWOD-UHFFFAOYSA-N
Molecular Weight 321.376 g/mol
SMILES C1=2C=3C(=CC(=C(C3)OCC=3C=CC=CC3)O)NC(C2CCCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.886011