![3-[(N-phenylamidino)thio]propionic acid](/api/spectrum/5gzCJA8g7qg/structure.png?h=300&w=458 "3-[(N-phenylamidino)thio]propionic acid")
| SpectraBase Compound ID | IToyNp5k0CC |
|---|---|
| InChI | InChI=1S/C10H12N2O2S/c11-10(15-7-6-9(13)14)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,12)(H,13,14) |
| InChIKey | NHFUCUJIBDJRGV-UHFFFAOYSA-N |
| Mol Weight | 224.28 g/mol |
| Molecular Formula | C10H12N2O2S |
| Exact Mass | 224.061949 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 | 5gzCJA8g7qg |
|---|---|
| Name | 3-[(N-Phenylamidino)thio]propionic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.061948806 u |
| Formula | C10H12N2O2S |
| InChI | InChI=1S/C10H12N2O2S/c11-10(15-7-6-9(13)14)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,12)(H,13,14) |
| InChIKey | NHFUCUJIBDJRGV-UHFFFAOYSA-N |
| Molecular Weight | 224.278 g/mol |
| SMILES | N(C1=CC=CC=C1)C(SCCC(O)=O)=N |