| SpectraBase Compound ID | KNvA4JPl4F3 |
|---|---|
| InChI | InChI=1S/C7H11NO2S/c1-6(9)7(11)8-2-4-10-5-3-8/h2-5H2,1H3 |
| InChIKey | CJIGVCYLTCCSRF-UHFFFAOYSA-N |
| Mol Weight | 173.23 g/mol |
| Molecular Formula | C7H11NO2S |
| Exact Mass | 173.05105 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 63GZG0zZffN |
|---|---|
| Name | 1-(Morpholin-4-yl)-1-sulfanylidenepropan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.051049770 u |
| Formula | C7H11NO2S |
| InChI | InChI=1S/C7H11NO2S/c1-6(9)7(11)8-2-4-10-5-3-8/h2-5H2,1H3 |
| InChIKey | CJIGVCYLTCCSRF-UHFFFAOYSA-N |
| SMILES | CC(C(N1CCOCC1)=S)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972359 |