| SpectraBase Compound ID | BnylLtzGiHu |
|---|---|
| InChI | InChI=1S/C9H16O4S/c1-12-9(10)5-3-2-4-8-6-7-13-14(8)11/h8H,2-7H2,1H3 |
| InChIKey | KXEDWPVUUQOUOX-UHFFFAOYSA-N |
| Mol Weight | 220.28 g/mol |
| Molecular Formula | C9H16O4S |
| Exact Mass | 220.07693 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7JkBBE2zJ1e |
|---|---|
| Name | 5-(2-OXO-[1,2]OXATHIOLAN-3-YL)PENTANOIC ACID, METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H16O4S |
| InChI | InChI=1S/C9H16O4S/c1-12-9(10)5-3-2-4-8-6-7-13-14(8)11/h8H,2-7H2,1H3 |
| InChIKey | KXEDWPVUUQOUOX-UHFFFAOYSA-N |
| Molecular Weight | 220.0765 |
| SMILES | C1(CCCCC(OC)=O)S(=O)OCC1 |
| SPLASH | splash10-05aj-9200000000-10bc1c847dc9ed219937 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |