| SpectraBase Spectrum ID |
LWcmXwjwgGd |
| Name |
Acetate <3-(methylthio)hexyl-> |
| Source of Sample |
SAFC Cat.no. W378917 |
| CAS Registry Number |
51755-85-2 |
| 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 |
190.102750992 u |
| Formula |
C9H18O2S |
| InChI |
InChI=1S/C9H18O2S/c1-4-5-9(12-3)6-7-11-8(2)10/h9H,4-7H2,1-3H3 |
| InChIKey |
VIQXICKUKPVFRK-UHFFFAOYSA-N |
| Molecular Weight |
190.301 g/mol |
| Number of Peaks |
50 |
| RI1 |
1205 |
| RI2 |
883 |
| RI3 |
1284 |
| RI4 |
1244 |
| RI5 |
1186 |
| SMILES |
CC(OCCC(CCC)SC)=O |
| SPLASH |
splash10-0a4l-9100000000-f7d5c3a06c6487450e55 |
| 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-Hexanol, 3-(methylthio)-, acetate |
| Wiley ID |
LM_FFNSC3_681 |
