| SpectraBase Compound ID | 7aRmJwDSbup |
|---|---|
| InChI | InChI=1S/C8H4F3NOS/c9-8(10,11)13-7-3-1-6(2-4-7)12-5-14/h1-4H |
| InChIKey | JKSZUQPHKOPVHF-UHFFFAOYSA-N |
| Mol Weight | 219.18 g/mol |
| Molecular Formula | C8H4F3NOS |
| Exact Mass | 218.996569 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CeV8k3XielC |
|---|---|
| Name | 4-(Trifluoromethoxy)phenyl isothiocyanate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.996569415 u |
| Formula | C8H4F3NOS |
| InChI | InChI=1S/C8H4F3NOS/c9-8(10,11)13-7-3-1-6(2-4-7)12-5-14/h1-4H |
| InChIKey | JKSZUQPHKOPVHF-UHFFFAOYSA-N |
| Molecular Weight | 219.181 g/mol |
| SMILES | C(F)(F)(F)OC=1C=CC(=CC1)N=C=S |
| Spectrum/Structure Validation Score (Raman) | 0.872957 |