| SpectraBase Spectrum ID |
HImTEI1iwCq |
| Name |
10-Methyl-N,N'-bis(4'-phenylbutyl)-phenothiazine-3,7-dimethanamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
535.302119506 u |
| Formula |
C35H41N3S |
| InChI |
InChI=1S/C35H41N3S/c1-38-32-20-18-30(26-36-22-10-8-16-28-12-4-2-5-13-28)24-34(32)39-35-25-31(19-21-33(35)38)27-37-23-11-9-17-29-14-6-3-7-15-29/h2-7,12-15,18-21,24-25,36-37H,8-11,16-17,22-23,26-27H2,1H3 |
| InChIKey |
CNPUXUFJVUMWGM-UHFFFAOYSA-N |
| Molecular Weight |
535.794 g/mol |
| SMILES |
C1=2N(C=3C(SC2C=C(C=C1)CNCCCCC=1C=CC=CC1)=CC(=CC3)CNCCCCC=1C=CC=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922106 |
