| SpectraBase Compound ID | 6TaNdElQrX8 |
|---|---|
| InChI | InChI=1S/C21H25NO2S/c1-5-15-25-19-14-10-9-13-18(19)22(20(23)24-21(2,3)4)16-17-11-7-6-8-12-17/h5-14H,1,15-16H2,2-4H3 |
| InChIKey | KVMBDSWLNGTBFM-UHFFFAOYSA-N |
| Mol Weight | 355.5 g/mol |
| Molecular Formula | C21H25NO2S |
| Exact Mass | 355.1606 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4S5LKTHRBsh |
|---|---|
| Name | Tert-butyl N-(2-allylthiophenyl)-N-benzylcarbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.160600221 u |
| Formula | C21H25NO2S |
| InChI | InChI=1S/C21H25NO2S/c1-5-15-25-19-14-10-9-13-18(19)22(20(23)24-21(2,3)4)16-17-11-7-6-8-12-17/h5-14H,1,15-16H2,2-4H3 |
| InChIKey | KVMBDSWLNGTBFM-UHFFFAOYSA-N |
| Molecular Weight | 355.496 g/mol |
| SMILES | C(N(C=1C(SCC=C)=CC=CC1)CC=1C=CC=CC1)(OC(C)(C)C)=O |