| SpectraBase Spectrum ID |
4Pz4GJmiCge |
| Name |
Butane, 1-isothiocyanato-3-methyl- |
| CAS Registry Number |
628-03-5 |
| Classification |
Isothiocyanates |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
129.061220532 u |
| Formula |
C6H11NS |
| InChI |
InChI=1S/C6H11NS/c1-6(2)3-4-7-5-8/h6H,3-4H2,1-2H3 |
| InChIKey |
JATNWMBUDXLMEO-UHFFFAOYSA-N |
| Molecular Weight |
129.221 g/mol |
| Number of Peaks |
20 |
| SMILES |
C(CC(C)C)N=C=S |
| SPLASH |
splash10-01ox-9500000000-d41d68fab409101cd771 |
| Source of Spectrum |
FF-18-150-150_1 (DOI: 10.1002/ffj.1163) |
| Synonyms |
3-Methylbutyl isothiocyanate
1-Isothiocyanato-3-methylbutane |
| Wiley ID |
1775331 |
