| SpectraBase Compound ID | 9RfallxfIgK |
|---|---|
| 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 |
| Mol Weight | 331.43 g/mol |
| Molecular Formula | C21H17NOS |
| Exact Mass | 331.103085 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JgAFEpB8v4X |
|---|---|
| Name | 10-(3-Phenylpropanoyl)-10H-phenothiazine |
| Comments | Computed using HOSE algorithm |
| 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 |