| SpectraBase Spectrum ID |
BPnZgTRVlVP |
| Name |
10-(3-Phenylpropanoyl)-10H-phenothiazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.103085344 u |
| Formula |
C21H17NOS |
| InChI |
InChI=1S/C21H17NOS/c23-21(15-14-16-8-2-1-3-9-16)22-17-10-4-6-12-19(17)24-20-13-7-5-11-18(20)22/h1-13H,14-15H2 |
| InChIKey |
UFAZLVHMPFPAHH-UHFFFAOYSA-N |
| Molecular Weight |
331.433 g/mol |
| SMILES |
C(CCC1=CC=CC=C1)(=O)N1C2=C(SC3=C1C=CC=C3)C=CC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839858 |
