| SpectraBase Spectrum ID |
vvRXOg7N2 |
| Name |
MOLINATE |
| CAS Registry Number |
2212-67-1 |
| 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 |
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 |
| Nominal Mass |
187 u |
| Number of Peaks |
59 |
| SMILES |
CCSC(=O)N1CCCCCC1 |
| SPLASH |
splash10-0a6r-9400000000-7a27e542b3d1e8997044 |
| Source of Spectrum |
Dr. Rolf Kuehnle |
| Synonyms |
S-ethyl hexahydro-1H-azepine-1-carbothioate |
| Technique |
GC/MS |
| Wiley ID |
WID_MSPA_4163 |
