| SpectraBase Compound ID | 9jITZM8HycG |
|---|---|
| InChI | InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2 |
| InChIKey | MDKCFLQDBWCQCV-UHFFFAOYSA-N |
| Mol Weight | 149.21 g/mol |
| Molecular Formula | C8H7NS |
| Exact Mass | 149.02992 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 788bM6F5Zo |
|---|---|
| Name | Benzyl isothiocyanate |
| Catalog Number | 252492 |
| Brand | ALDRICH |
| CAS Registry Number | 622-78-6 |
| Copyright | Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H7NS |
| Formula (reported) | C8H7NS |
| InChI | InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2 |
| InChIKey | MDKCFLQDBWCQCV-UHFFFAOYSA-N |
| Purity | 98% |
| Synonyms | Benzyl mustard oil Isothiocyanotaomethylbenzene |
| Wiley ID | SIAL_RAMAN_006439 |