| SpectraBase Spectrum ID |
BdQbayFlZ3q |
| Name |
Butane, 2-isothiocyanato- |
| CAS Registry Number |
4426-79-3 |
| 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 |
115.045570468 u |
| Formula |
C5H9NS |
| InChI |
InChI=1S/C5H9NS/c1-3-5(2)6-4-7/h5H,3H2,1-2H3 |
| InChIKey |
TUFJIDJGIQOYFY-UHFFFAOYSA-N |
| Molecular Weight |
115.194 g/mol |
| Number of Peaks |
19 |
| SMILES |
C(CC)(C)N=C=S |
| SPLASH |
splash10-052f-9000000000-4fb45eb5e5d444ae6f6e |
| Source of Spectrum |
FF-18-149-149_3 (DOI: 10.1002/ffj.1163) |
| Synonyms |
2-Isothiocyanatobutane
sec-Butyl isothiocyanate
2-Butyl isothiocyanate
Isothiocyanic acid, sec-butyl ester
EINECS 224-609-8 |
| Wiley ID |
1775324 |
