10-[3,3-Bis(3-phenylpropoxymethyl)cyclobutyl]-10H-phenothiazine

SpectraBase Compound ID	IbcogBfFFfy
InChI	InChI=1S/C36H39NO2S/c1-3-13-29(14-4-1)17-11-23-38-27-36(28-39-24-12-18-30-15-5-2-6-16-30)25-31(26-36)37-32-19-7-9-21-34(32)40-35-22-10-8-20-33(35)37/h1-10,13-16,19-22,31H,11-12,17-18,23-28H2
InChIKey	FADDJPNSYPYNBD-UHFFFAOYSA-N Google Search
Mol Weight	549.8 g/mol
Molecular Formula	C36H39NO2S
Exact Mass	549.270151 g/mol

Subscribe to view the full spectrum.

SpectraBase Spectrum ID	HNTMOdENGX3
Name	10-[3,3-bis(3-Phenylpropoxymethyl)cyclobutyl]-10H-phenothiazine
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	549.270150672 u
Formula	C36H39NO2S
InChI	InChI=1S/C36H39NO2S/c1-3-13-29(14-4-1)17-11-23-38-27-36(28-39-24-12-18-30-15-5-2-6-16-30)25-31(26-36)37-32-19-7-9-21-34(32)40-35-22-10-8-20-33(35)37/h1-10,13-16,19-22,31H,11-12,17-18,23-28H2
InChIKey	FADDJPNSYPYNBD-UHFFFAOYSA-N
Molecular Weight	549.773 g/mol
SMILES	C1(N2C=3C(=CC=CC3)SC3=C2C=CC=C3)CC(C1)(COCCCC1=CC=CC=C1)COCCCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.83894