| SpectraBase Spectrum ID |
78zGjyDyCq8 |
| Name |
10-(2,2,5,5-Tetramethyl-2,5-dihydro-1H-pyrrol-3-ylmethyl)-2-trifluoromethyl-10H-phenothiazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.153404412 u |
| Formula |
C22H23F3N2S |
| InChI |
InChI=1S/C22H23F3N2S/c1-20(2)12-15(21(3,4)26-20)13-27-16-7-5-6-8-18(16)28-19-10-9-14(11-17(19)27)22(23,24)25/h5-12,26H,13H2,1-4H3 |
| InChIKey |
BKPBMEOQQXTFPR-UHFFFAOYSA-N |
| Molecular Weight |
404.495 g/mol |
| SMILES |
C=12N(C3=C(SC2=CC=C(C(F)(F)F)C1)C=CC=C3)CC=1C(NC(C1)(C)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907233 |
