| SpectraBase Spectrum ID |
BB8zN4GvPGN |
| Name |
Methyl 5-Oxo-1-thia-3-cycloheptanecarboxylate |
| Alternate Name(s) |
methyl 5-oxo-3-thiepanecarboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H12O3S |
| InChI |
InChI=1S/C8H12O3S/c1-11-8(10)6-4-7(9)2-3-12-5-6/h6H,2-5H2,1H3 |
| InChIKey |
QLTFNGZLWJWQOC-UHFFFAOYSA-N |
| Molecular Weight |
188.241 g/mol |
| SMILES |
C1(C(=O)OC)CC(=O)CCSC1 |
| SPLASH |
splash10-000i-0900000000-e9d3650539fce890175d |
| Source of Spectrum |
F-47-4857-21 |
| Wiley ID |
1184233 |
