| SpectraBase Compound ID | 4ymQCzmyIVl |
|---|---|
| InChI | InChI=1S/C13H16N2O2S2/c1-17-12(16)8-14-9-15(13(18)19-10-14)7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3 |
| InChIKey | ROHCCSUWMJTKPZ-UHFFFAOYSA-N |
| Mol Weight | 296.4 g/mol |
| Molecular Formula | C13H16N2O2S2 |
| Exact Mass | 296.06532 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1476XPy8rmW |
|---|---|
| Name | 2-(5-Benzyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)acetic acid, me derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.065320109 u |
| Formula | C13H16N2O2S2 |
| InChI | InChI=1S/C13H16N2O2S2/c1-17-12(16)8-14-9-15(13(18)19-10-14)7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3 |
| InChIKey | ROHCCSUWMJTKPZ-UHFFFAOYSA-N |
| SMILES | C(CN1CSC(=S)N(C1)CC1=CC=CC=C1)(=O)OC |