| SpectraBase Compound ID | IUiNhK0Y8Dy |
|---|---|
| InChI | InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2 |
| InChIKey | ZOJBYZNEUISWFT-UHFFFAOYSA-N |
| Mol Weight | 99.15 g/mol |
| Molecular Formula | C4H5NS |
| Exact Mass | 99.01427 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | Al6Wvjt1Miv |
|---|---|
| Name | Allyl isothiocyanate |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | W203408 |
| Lot Number | 00221JE |
| CAS Registry Number | 57-06-7 |
| Copyright | Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C4H5NS |
| InChI | InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2 |
| InChIKey | ZOJBYZNEUISWFT-UHFFFAOYSA-N |
| Molecular Weight | 99.151 g/mol |
| Purity | >=93% |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | AITC; Oil of mustard |
| Technique | Between salts |
| Wiley ID | SIAL_FF-FTIR_000136 |