| SpectraBase Compound ID | KKNiC9vMiSe |
|---|---|
| InChI | InChI=1S/C9H9NOS/c11-9-5-6-12-8-4-2-1-3-7(8)10-9/h1-4H,5-6H2,(H,10,11) |
| InChIKey | VNUDPFLTWOKTKQ-UHFFFAOYSA-N |
| Mol Weight | 179.24 g/mol |
| Molecular Formula | C9H9NOS |
| Exact Mass | 179.040485 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 95lyTQv1ayJ |
|---|---|
| Name | 2,3-Dihydro-1,5-benzothiazepin-4(5H)-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.040485087 u |
| Formula | C9H9NOS |
| InChI | InChI=1S/C9H9NOS/c11-9-5-6-12-8-4-2-1-3-7(8)10-9/h1-4H,5-6H2,(H,10,11) |
| InChIKey | VNUDPFLTWOKTKQ-UHFFFAOYSA-N |
| SMILES | N1C=2C=CC=CC2SCCC1=O |
| Spectrum/Structure Validation Score (Raman) | 0.912527 |