![2-[(Phenylthio)amino]acetic acid ethyl ester](/api/spectrum/DwdaqWj0ldT/structure.png?h=300&w=458 "2-[(Phenylthio)amino]acetic acid ethyl ester")
| SpectraBase Compound ID | JfcYcY6Wyc0 |
|---|---|
| InChI | InChI=1S/C10H13NO2S/c1-2-13-10(12)8-11-14-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3 |
| InChIKey | VMLUYZDVAAEFCE-UHFFFAOYSA-N |
| Mol Weight | 211.28 g/mol |
| Molecular Formula | C10H13NO2S |
| Exact Mass | 211.0667 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DwdaqWj0ldT |
|---|---|
| Name | 2-[(Phenylthio)amino]acetic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.066699835 u |
| Formula | C10H13NO2S |
| InChI | InChI=1S/C10H13NO2S/c1-2-13-10(12)8-11-14-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3 |
| InChIKey | VMLUYZDVAAEFCE-UHFFFAOYSA-N |
| Molecular Weight | 211.279 g/mol |
| SMILES | C=1(C=CC=CC1)SNCC(=O)OCC |