| SpectraBase Spectrum ID |
29HwPSCbD6 |
| Name |
Isobutyl isothiocyanate |
| CAS Registry Number |
591-82-2 |
| Comments |
Structure changed after expert review |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
| SMILES |
CC(CN=C=S)C |
| SPLASH |
splash10-05tf-9200000000-67859386b8bcaab18fcb |
| Source of Spectrum |
VC-1981-901-0 |
| 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 |
3388 |
