| SpectraBase Spectrum ID |
5TSGnG7EDKK |
| Name |
1-Propanol, 3-(methylthio)-, butyrate |
| CAS Registry Number |
16630-60-7 |
| 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 |
176.087100927 u |
| Formula |
C8H16O2S |
| InChI |
InChI=1S/C8H16O2S/c1-3-5-8(9)10-6-4-7-11-2/h3-7H2,1-2H3 |
| InChIKey |
HSCZLQOPSGMKTK-UHFFFAOYSA-N |
| Molecular Weight |
176.274 g/mol |
| Number of Peaks |
50 |
| RI1 |
1308 |
| RI2 |
986 |
| RI3 |
1175 |
| RI4 |
1135 |
| RI5 |
1279 |
| SMILES |
C(CCC)(=O)OCCCSC |
| SPLASH |
splash10-007c-9000000000-5bd79ea38dcd2d9f7f1b |
| 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 |
Butanoic acid, 3-(methylthio)propyl ester |
| Wiley ID |
LM_FFNSC3_3100 |
