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9-Ethyl-7-hydroxy-8-octylphenanthridin-6(5H)-one

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

9-Ethyl-7-hydroxy-8-octylphenanthridin-6(5H)-one
SpectraBase Compound ID CHVPjNvXTc
InChI InChI=1S/C23H29NO2/c1-3-5-6-7-8-9-12-17-16(4-2)15-19-18-13-10-11-14-20(18)24-23(26)21(19)22(17)25/h10-11,13-15,25H,3-9,12H2,1-2H3,(H,24,26)
InChIKey XQYKHWSIWYQVJP-UHFFFAOYSA-N
Mol Weight 351.49 g/mol
Molecular Formula C23H29NO2
Exact Mass 351.219829 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9Ksab4FknWs
Name 9-Ethyl-7-hydroxy-8-octylphenanthridin-6(5H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.219829176 u
Formula C23H29NO2
InChI InChI=1S/C23H29NO2/c1-3-5-6-7-8-9-12-17-16(4-2)15-19-18-13-10-11-14-20(18)24-23(26)21(19)22(17)25/h10-11,13-15,25H,3-9,12H2,1-2H3,(H,24,26)
InChIKey XQYKHWSIWYQVJP-UHFFFAOYSA-N
Molecular Weight 351.490 g/mol
SMILES C1=2C(NC=3C(C2C=C(C(=C1O)CCCCCCCC)CC)=CC=CC3)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.88274