| SpectraBase Compound ID | 2LE6cMK5DCe |
|---|---|
| InChI | InChI=1S/C8H7NOS/c1-11-8-4-2-3-7(5-8)9-6-10/h2-5H,1H3 |
| InChIKey | BKJABLMNBSVKCV-UHFFFAOYSA-N |
| Mol Weight | 165.21 g/mol |
| Molecular Formula | C8H7NOS |
| Exact Mass | 165.024835 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | 3VlnVtS0jTe |
|---|---|
| Name | 3-(Methylthio)phenyl isocyanate |
| Source of Sample | Aldrich |
| Catalog Number | 478814 |
| CAS Registry Number | 28479-19-8 |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H7NOS |
| InChI | InChI=1S/C8H7NOS/c1-11-8-4-2-3-7(5-8)9-6-10/h2-5H,1H3 |
| InChIKey | BKJABLMNBSVKCV-UHFFFAOYSA-N |
| Purity | 98% |
| Wiley ID | SIAL_ATR-IR_020264 |