| SpectraBase Spectrum ID |
mQtaGuqIsr |
| Name |
Furoate <2-methylthio-> |
| Source of Sample |
SAFC Cat.no. W331104 |
| CAS Registry Number |
13679-61-3 |
| 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 |
142.008850605 u |
| Formula |
C6H6O2S |
| InChI |
InChI=1S/C6H6O2S/c1-9-6(7)5-3-2-4-8-5/h2-4H,1H3 |
| InChIKey |
ISKUAGFDTRLBHG-UHFFFAOYSA-N |
| Molecular Weight |
142.172 g/mol |
| Number of Peaks |
50 |
| RI1 |
1162 |
| RI2 |
839 |
| RI3 |
1242 |
| RI4 |
1201 |
| RI5 |
1144 |
| SMILES |
c1ccc(o1)C(SC)=O |
| SPLASH |
splash10-0002-9100000000-283c122117947bec1aff |
| 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 |
2-Furancarbothioic acid, S-methyl ester |
| Wiley ID |
LM_FFNSC3_677 |
