| SpectraBase Spectrum ID |
Htd0ZJLsSZe |
| Name |
Butanethiol<2-methyl-> |
| CAS Registry Number |
1878-18-8 |
| 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 |
104.065971560 u |
| Formula |
C5H12S |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| InChI |
InChI=1S/C5H12S/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3 |
| InChIKey |
WGQKBCSACFQGQY-UHFFFAOYSA-N |
| Molecular Weight |
104.211 g/mol |
| Nominal Mass |
104 u |
| Number of Peaks |
43 |
| SMILES |
SCC(CC)C |
| SPLASH |
splash10-052g-9000000000-37d5fa89888bc3b76159 |
| Source |
ex ALDRICH |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001450 |
