| SpectraBase Spectrum ID |
5XGPlFC5Us8 |
| Name |
Molinate |
| Source of Sample |
Sigma-Aldrich Cat. #36171 |
| CAS Registry Number |
2212-67-1 |
| Classification |
Pesticides: Herbicides |
| 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 |
187.103085344 u |
| Formula |
C9H17NOS |
| InChI |
InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3 |
| InChIKey |
DEDOPGXGGQYYMW-UHFFFAOYSA-N |
| Molecular Weight |
187.301 g/mol |
| Number of Peaks |
47 |
| RI1 |
1532 |
| SMILES |
CCSC(=O)N1CCCCCC1 |
| SPLASH |
splash10-0a6r-9300000000-f84b70e69f7b09bf86f8 |
| Sample Comments |
RI1: measured on SLB-5ms (Alkanes)
RI2: measured on Equity-1 (Alkanes) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
1H-Azepine-1-carbothioic acid, hexahydro-, S-ethyl ester |
| Wiley ID |
LM_PEST_19 |
