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Phenadoxone HC l inkbr

View entire compound with spectra: 1 Raman

Phenadoxone HC l inkbr
SpectraBase Compound ID AM2FWWUdHWu
InChI InChI=1S/C23H29NO2.ClH/c1-3-22(25)23(20-10-6-4-7-11-20,21-12-8-5-9-13-21)18-19(2)24-14-16-26-17-15-24;/h4-13,19H,3,14-18H2,1-2H3;1H
InChIKey QGUPBYVADAJUNT-UHFFFAOYSA-N
Mol Weight 387.95 g/mol
Molecular Formula C23H30ClNO2
Exact Mass 387.196507 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID AT9DpupU2W9
Name Phenadoxone HC l inkbr
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.196506908 u
Formula C23H30ClNO2
InChI InChI=1S/C23H29NO2.ClH/c1-3-22(25)23(20-10-6-4-7-11-20,21-12-8-5-9-13-21)18-19(2)24-14-16-26-17-15-24;/h4-13,19H,3,14-18H2,1-2H3;1H
InChIKey QGUPBYVADAJUNT-UHFFFAOYSA-N
Molecular Weight 387.951 g/mol
SMILES C1=CC=C(C=C1)C(C1=CC=CC=C1)(CC(C)N1CCOCC1)C(CC)=O.Cl
Spectrum/Structure Validation Score (Raman) 0.99427