| SpectraBase Compound ID | 1ZW571C2YDc |
|---|---|
| InChI | InChI=1S/C8H11NS/c1-5-3-6(2)8(9)7(10)4-5/h3-4,10H,9H2,1-2H3 |
| InChIKey | PERDOULMOPGWAX-UHFFFAOYSA-N |
| Mol Weight | 153.24 g/mol |
| Molecular Formula | C8H11NS |
| Exact Mass | 153.061221 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6wQZlf9khI9 |
|---|---|
| Name | 2-Amino-3,5-xylenethiol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 153.061220532 u |
| Formula | C8H11NS |
| InChI | InChI=1S/C8H11NS/c1-5-3-6(2)8(9)7(10)4-5/h3-4,10H,9H2,1-2H3 |
| InChIKey | PERDOULMOPGWAX-UHFFFAOYSA-N |
| SMILES | NC1=C(C=C(C=C1C)C)S |
| Spectrum/Structure Validation Score (Raman) | 0.892942 |