| SpectraBase Spectrum ID |
LgBMY59AkSj |
| Name |
Methanethioic acid ester |
| Source of Sample |
SAFC Cat.no. W315818 |
| CAS Registry Number |
59020-90-5 |
| 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 |
142.008850605 u |
| Formula |
C6H6O2S |
| InChI |
InChI=1S/C6H6O2S/c7-5-9-4-6-2-1-3-8-6/h1-3,5H,4H2 |
| InChIKey |
GFAOAYJTEVHTLA-UHFFFAOYSA-N |
| Molecular Weight |
142.172 g/mol |
| Number of Peaks |
50 |
| RI1 |
1097 |
| RI2 |
773 |
| RI3 |
1103 |
| RI4 |
1060 |
| RI5 |
1064 |
| SMILES |
C(=O)SCc1occc1 |
| SPLASH |
splash10-001i-9000000000-55cf7b1e19633746c0ba |
| 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 |
Methanethioic acid, S-(2-furanylmethyl) ester |
| Wiley ID |
LM_FFNSC3_88 |
