| SpectraBase Spectrum ID |
AMA2yNU3742 |
| Name |
Methyl 4-(methylthio)butyrate |
| Source of Sample |
Bedoukian 2002 |
| CAS Registry Number |
53053-51-3 |
| 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 |
148.055800798 u |
| Formula |
C6H12O2S |
| InChI |
InChI=1S/C6H12O2S/c1-8-6(7)4-3-5-9-2/h3-5H2,1-2H3 |
| InChIKey |
HQDLZISNHUMXEA-UHFFFAOYSA-N |
| Molecular Weight |
148.220 g/mol |
| Number of Peaks |
50 |
| RI1 |
1136 |
| RI2 |
814 |
| RI3 |
1011 |
| RI4 |
968 |
| RI5 |
1325 |
| SMILES |
CSCCCC(=O)OC |
| SPLASH |
splash10-076v-9200000000-bef5fb55105a7931f917 |
| 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, 4-(methylthio)-, methyl ester |
| Wiley ID |
LM_FFNSC3_3260 |
