| SpectraBase Compound ID | JxsX1hObovK |
|---|---|
| InChI | InChI=1S/C12H15NOS/c15-12(13-6-8-14-9-7-13)10-11-4-2-1-3-5-11/h1-5H,6-10H2 |
| InChIKey | NYFHVSARWRNBEM-UHFFFAOYSA-N |
| Mol Weight | 221.32 g/mol |
| Molecular Formula | C12H15NOS |
| Exact Mass | 221.087435 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BxLf1qol52d |
|---|---|
| Name | 4-(Phenylthioacetyl)morpholine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.087435280 u |
| Formula | C12H15NOS |
| InChI | InChI=1S/C12H15NOS/c15-12(13-6-8-14-9-7-13)10-11-4-2-1-3-5-11/h1-5H,6-10H2 |
| InChIKey | NYFHVSARWRNBEM-UHFFFAOYSA-N |
| Molecular Weight | 221.318 g/mol |
| SMILES | C=1C=CC=C(C1)CC(=S)N1CCOCC1 |
| Spectrum/Structure Validation Score (Raman) | 0.990325 |