| SpectraBase Compound ID | HeQE6WiSf2T |
|---|---|
| InChI | InChI=1S/C15H13NS/c17-15-11-14(12-7-3-1-4-8-12)16(15)13-9-5-2-6-10-13/h1-10,14H,11H2 |
| InChIKey | UWAQVEXNXOXFGB-UHFFFAOYSA-N |
| Mol Weight | 239.34 g/mol |
| Molecular Formula | C15H13NS |
| Exact Mass | 239.076871 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | K28n35T1Wcc |
|---|---|
| Name | 1,4-Diphenyl-2-azetidinethione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.076870597 u |
| Formula | C15H13NS |
| InChI | InChI=1S/C15H13NS/c17-15-11-14(12-7-3-1-4-8-12)16(15)13-9-5-2-6-10-13/h1-10,14H,11H2 |
| InChIKey | UWAQVEXNXOXFGB-UHFFFAOYSA-N |
| Molecular Weight | 239.336 g/mol |
| SMILES | C=1C(=CC=CC1)C1CC(N1C=1C=CC=CC1)=S |
| Spectrum/Structure Validation Score (Raman) | 0.995197 |