| 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 |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | 4er2XyZnbYs |
|---|---|
| Name | Allyl isothiocyanate |
| Source of Sample | Aldrich |
| Catalog Number | 377430 |
| CAS Registry Number | 57-06-7 |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 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 |
| Purity | contains BHT as stabilizer, 95% |
| Synonyms | AITC; Oil of mustard |
| Wiley ID | SIAL_ATR-IR_017659 |