| SpectraBase Compound ID | 8eMmcu6KQpb |
|---|---|
| InChI | InChI=1S/C8H6ClNOS/c1-11-8-6(9)3-2-4-7(8)10-5-12/h2-4H,1H3 |
| InChIKey | JEUPXKAOSGTVTR-UHFFFAOYSA-N |
| Mol Weight | 199.65 g/mol |
| Molecular Formula | C8H6ClNOS |
| Exact Mass | 198.985863 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KqMlUPvETVb |
|---|---|
| Name | 3-Chloro-2-methoxyphenyl isocyanate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.985862690 u |
| Formula | C8H6ClNOS |
| InChI | InChI=1S/C8H6ClNOS/c1-11-8-6(9)3-2-4-7(8)10-5-12/h2-4H,1H3 |
| InChIKey | JEUPXKAOSGTVTR-UHFFFAOYSA-N |
| Molecular Weight | 199.655 g/mol |
| SMILES | C1(=C(C=CC=C1N=C=S)Cl)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.888874 |