| SpectraBase Spectrum ID |
3N7MBluDFDk |
| Name |
Isobutyl isothiocyanate |
| CAS Registry Number |
591-82-2 |
| Classification |
Isothiocyanates |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
115.045570468 u |
| Formula |
C5H9NS |
| InChI |
InChI=1S/C5H9NS/c1-5(2)3-6-4-7/h5H,3H2,1-2H3 |
| InChIKey |
NSDDRJXKROCWRZ-UHFFFAOYSA-N |
| Molecular Weight |
115.194 g/mol |
| Number of Peaks |
14 |
| SMILES |
C(C(C)C)N=C=S |
| SPLASH |
splash10-0596-9000000000-f328eb9399f9097804dd |
| Source of Spectrum |
FF-18-149-149_4 (DOI: 10.1002/ffj.1163) |
| Synonyms |
Propane, 1-isothiocyanato-2-methyl-
iso-Butyl isothiocyanate
Isothiocyanic acid, isobutyl ester
1-Isothiocyanato-2-methylpropane
2-Methylpropyl isothiocyanate
i-Butyl isothiocyanate |
| Wiley ID |
1775325 |
