| SpectraBase Spectrum ID |
FZWsW1oQxht |
| Name |
Thiocineole |
| CAS Registry Number |
68398-18-5 |
| 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 |
170.112921754 u |
| Formula |
C10H18S |
| InChI |
InChI=1S/C10H18S/c1-7-4-5-8-6-9(7)11-10(8,2)3/h7-9H,4-6H2,1-3H3 |
| InChIKey |
FAXNZPOZWCWYBD-UHFFFAOYSA-N |
| Molecular Weight |
170.314 g/mol |
| Number of Peaks |
50 |
| RI1 |
1285 |
| RI2 |
963 |
| RI3 |
1207 |
| RI4 |
1163 |
| SMILES |
CC1CCC2C(SC1C2)(C)C |
| SPLASH |
splash10-05g3-9700000000-d41aa88649a4788210fd |
| 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 |
6-Thiabicyclo[3.2.1]octane, 4,7,7-trimethyl |
| Wiley ID |
LM_FFNSC3_3327 |
