| SpectraBase Compound ID | 53spqVHwUhJ |
|---|---|
| InChI | InChI=1S/C12H17NOS/c1-3-13(4-2)12(14)15-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3 |
| InChIKey | BKXRWLMGHBHCFY-UHFFFAOYSA-N |
| Mol Weight | 223.33 g/mol |
| Molecular Formula | C12H17NOS |
| Exact Mass | 223.103085 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 21Vlm9z71Oa |
|---|---|
| Name | N,N-Diethylcarbamothioic acid S-(phenylmethyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.103085344 u |
| Formula | C12H17NOS |
| InChI | InChI=1S/C12H17NOS/c1-3-13(4-2)12(14)15-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3 |
| InChIKey | BKXRWLMGHBHCFY-UHFFFAOYSA-N |
| Molecular Weight | 223.334 g/mol |
| SMILES | C(SCC=1C=CC=CC1)(N(CC)CC)=O |