![[3S-(3.beta.,3a.alpha.,6.alpha.,6a.alpha.)]-3-butylhexahydrothieno-[3,2-c]isoxazol-6-yl carbamic acid methyl ester](/api/spectrum/KDjtv6H0Mab/structure.png?h=300&w=458 "[3S-(3.beta.,3a.alpha.,6.alpha.,6a.alpha.)]-3-butylhexahydrothieno-[3,2-c]isoxazol-6-yl carbamic acid methyl ester")
| SpectraBase Compound ID | E70UBW5VHe7 |
|---|---|
| InChI | InChI=1S/C11H20N2O3S/c1-3-4-5-8-10-9(13-16-8)7(6-17-10)12-11(14)15-2/h7-10,13H,3-6H2,1-2H3,(H,12,14)/t7-,8-,9+,10+/m0/s1 |
| InChIKey | UELXSVAVBORQFS-AXTSPUMRSA-N |
| Mol Weight | 260.35 g/mol |
| Molecular Formula | C11H20N2O3S |
| Exact Mass | 260.119464 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KDjtv6H0Mab |
|---|---|
| Name | [3S-(3.beta.,3a.alpha.,6.alpha.,6a.alpha.)]-3-butylhexahydrothieno-[3,2-c]isoxazol-6-yl carbamic acid methyl ester |
| CAS Registry Number | 76176-75-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H20N2O3S |
| InChI | InChI=1S/C11H20N2O3S/c1-3-4-5-8-10-9(13-16-8)7(6-17-10)12-11(14)15-2/h7-10,13H,3-6H2,1-2H3,(H,12,14)/t7-,8-,9+,10+/m0/s1 |
| InChIKey | UELXSVAVBORQFS-AXTSPUMRSA-N |
| Molecular Weight | 260.352 g/mol |
| SMILES | N1O[C@]([C@@]2([C@]1([C@](CS2)(NC(=O)OC)[H])[H])[H])(CCCC)[H] |
| SPLASH | splash10-0udi-0900000000-caf1e03cc7eeeb55e9ae |
| Source of Spectrum | F-43-4898-9 |
| Synonyms | Methyl (3S,3aS,6R,6aR)-3-butylhexahydrothieno[3,2-c]isoxazol-6-ylcarbamate N-[(3S,3aS,6R,6aR)-3-butyl-1,3,3a,5,6,6a-hexahydrothieno[3,2-c]isoxazol-6-yl]carbamic acid methyl ester Methyl N-[(3S,3aS,6R,6aR)-3-butyl-1,3,3a,5,6,6a-hexahydrothieno[3,2-c]isoxazol-6-yl]carbamate Methyl N-[(3S,3aS,6R,6aR)-3-butyl-1,3,3a,5,6,6a-hexahydrothieno[3,2-c][1,2]oxazol-6-yl]carbamate |
| Wiley ID | 1263264 |