| SpectraBase Compound ID | 4HPTPRoBRPd |
|---|---|
| InChI | InChI=1S/C11H18N2O3S/c1-16-9(14)5-3-2-4-8-10-7(6-17-8)12-11(15)13-10/h7-8,10H,2-6H2,1H3,(H2,12,13,15) |
| InChIKey | BHEWJAXNLVWPSC-UHFFFAOYSA-N |
| Mol Weight | 258.34 g/mol |
| Molecular Formula | C11H18N2O3S |
| Exact Mass | 258.103814 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 85zC2JxGzcS |
|---|---|
| Name | Methyl 5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate |
| CAS Registry Number | 608-16-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H18N2O3S |
| InChI | InChI=1S/C11H18N2O3S/c1-16-9(14)5-3-2-4-8-10-7(6-17-8)12-11(15)13-10/h7-8,10H,2-6H2,1H3,(H2,12,13,15) |
| InChIKey | BHEWJAXNLVWPSC-UHFFFAOYSA-N |
| Molecular Weight | 258.336 g/mol |
| SMILES | N1C2C(CSC2CCCCC(OC)=O)NC1=O |
| SPLASH | splash10-000b-9300000000-bf347591bb389d7e4948 |
| Synonyms | 5-(2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl)valeric acid methyl ester 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoic acid methyl ester Methyl 5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate Methyl 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate Pentanoic acid, 5-(2-oxoperhydrothieno[3,4-d]imidazol-4-yl)-, methyl ester |
| Wiley ID | 1455391 |