| SpectraBase Compound ID | HLXuMme9sRL |
|---|---|
| InChI | InChI=1S/C10H13NO3S/c1-10(2,3)15-7-4-5-8(11(13)14)9(12)6-7/h4-6,12H,1-3H3 |
| InChIKey | PBPSOORUZNVPPF-UHFFFAOYSA-N |
| Mol Weight | 227.28 g/mol |
| Molecular Formula | C10H13NO3S |
| Exact Mass | 227.061614 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8gLoJmmMtWf |
|---|---|
| Name | 5-(Tert-butylthio)-2-nitro-phenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.061614454 u |
| Formula | C10H13NO3S |
| InChI | InChI=1S/C10H13NO3S/c1-10(2,3)15-7-4-5-8(11(13)14)9(12)6-7/h4-6,12H,1-3H3 |
| InChIKey | PBPSOORUZNVPPF-UHFFFAOYSA-N |
| Molecular Weight | 227.278 g/mol |
| SMILES | C=1(N(=O)=O)C(=CC(SC(C)(C)C)=CC1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.882047 |