![2-Nitro-4-[(trifluoromethyl)sulfanyl]phenol](/api/spectrum/LtTdbChakyY/structure.png?h=300&w=458 "2-Nitro-4-[(trifluoromethyl)sulfanyl]phenol")
| SpectraBase Compound ID | BGnUrQP5nO6 |
|---|---|
| InChI | InChI=1S/C7H4F3NO3S/c8-7(9,10)15-4-1-2-6(12)5(3-4)11(13)14/h1-3,12H |
| InChIKey | NOMKRMHMFZTWBR-UHFFFAOYSA-N |
| Mol Weight | 239.17 g/mol |
| Molecular Formula | C7H4F3NO3S |
| Exact Mass | 238.986399 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LtTdbChakyY |
|---|---|
| Name | 2-Nitro-4-[(trifluoromethyl)sulfanyl]phenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.986398653 u |
| Formula | C7H4F3NO3S |
| InChI | InChI=1S/C7H4F3NO3S/c8-7(9,10)15-4-1-2-6(12)5(3-4)11(13)14/h1-3,12H |
| InChIKey | NOMKRMHMFZTWBR-UHFFFAOYSA-N |
| Molecular Weight | 239.168 g/mol |
| SMILES | C1(=CC=C(C=C1N(=O)=O)SC(F)(F)F)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969711 |