| SpectraBase Spectrum ID |
21NGKxKLlQN |
| Name |
Thiophene |
| CAS Registry Number |
554-14-3 |
| 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 |
98.019021367 u |
| Formula |
C5H6S |
| InChI |
InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3 |
| InChIKey |
XQQBUAPQHNYYRS-UHFFFAOYSA-N |
| Molecular Weight |
98.163 g/mol |
| Number of Peaks |
50 |
| RI1 |
770 |
| RI2 |
435 |
| SMILES |
c1cc(sc1)C |
| SPLASH |
splash10-0002-9000000000-c029fd000deed41d7bad |
| 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 |
Thiophene, 2-methyl- |
| Wiley ID |
LM_FFNSC3_1651 |
