| SpectraBase Spectrum ID |
IwyjZrX65k3 |
| Name |
Butanethiol <3-methyl-> |
| Source of Sample |
SAFC Cat.no. W385808 |
| CAS Registry Number |
541-31-1 |
| 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 |
| InChI |
InChI=1S/C5H12S/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3 |
| InChIKey |
GIJGXNFNUUFEGH-UHFFFAOYSA-N |
| Molecular Weight |
104.211 g/mol |
| Number of Peaks |
50 |
| RI1 |
785 |
| RI2 |
444 |
| RI3 |
405 |
| RI4 |
370 |
| SMILES |
SCCC(C)C |
| SPLASH |
splash10-0596-9100000000-d8b54d8db6e7ea369eab |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
1-Butanethiol, 3-methyl- |
| Wiley ID |
LM_FFNSC3_601 |
