| SpectraBase Spectrum ID |
3fV7gtya0df |
| Name |
Thiophen-3-one |
| Source of Sample |
SAFC Cat.no. W351202 |
| CAS Registry Number |
13679-85-1 |
| 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 |
116.029586051 u |
| Formula |
C5H8OS |
| InChI |
InChI=1S/C5H8OS/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3 |
| InChIKey |
YMZZPMVKABUEBL-UHFFFAOYSA-N |
| Molecular Weight |
116.178 g/mol |
| Number of Peaks |
50 |
| RI1 |
992 |
| RI2 |
663 |
| RI3 |
906 |
| RI4 |
862 |
| RI5 |
952 |
| SMILES |
C1(C(CCS1)=O)C |
| SPLASH |
splash10-03di-9200000000-911ed2bc1cb054a0d24f |
| 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 |
3(2H)-Thiophenone, dihydro-2-methyl- |
| Wiley ID |
LM_FFNSC3_1138 |
