![Carbamic acid, (3-butyl-3,3a,5,6-tetrahydrothieno[3,2-c]isoxazol-6-yl)-, methyl ester, [3R-(3.alpha.,3a.beta.,6.alpha.)]-](/api/spectrum/EoYmscgPA6o/structure.png?h=300&w=458 "Carbamic acid, (3-butyl-3,3a,5,6-tetrahydrothieno[3,2-c]isoxazol-6-yl)-, methyl ester, [3R-(3.alpha.,3a.beta.,6.alpha.)]-")
| SpectraBase Compound ID | 6zEBrEsuc7Q |
|---|---|
| InChI | InChI=1S/C11H18N2O3S/c1-3-4-5-8-10-9(13-16-8)7(6-17-10)12-11(14)15-2/h7-8,10H,3-6H2,1-2H3,(H,12,14)/t7-,8+,10-/m0/s1 |
| InChIKey | PXYQYBLBGXNCMR-XKSSXDPKSA-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 | EoYmscgPA6o |
|---|---|
| Name | Carbamic acid, (3-butyl-3,3a,5,6-tetrahydrothieno[3,2-c]isoxazol-6-yl)-, methyl ester, [3R-(3.alpha.,3a.beta.,6.alpha.)]- |
| CAS Registry Number | 76231-71-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H18N2O3S |
| InChI | InChI=1S/C11H18N2O3S/c1-3-4-5-8-10-9(13-16-8)7(6-17-10)12-11(14)15-2/h7-8,10H,3-6H2,1-2H3,(H,12,14)/t7-,8+,10-/m0/s1 |
| InChIKey | PXYQYBLBGXNCMR-XKSSXDPKSA-N |
| Molecular Weight | 258.336 g/mol |
| SMILES | N([C@@]1(C2=NO[C@@]([C@@]2(SC1)[H])(CCCC)[H])[H])C(=O)OC |
| SPLASH | splash10-0zfr-0960000000-cff5ad3f1dbd4830e6d7 |
| Source of Spectrum | F-43-4896-0 |
| Synonyms | Thieno[3,2-c]isoxazole, carbamic acid deriv. Methyl (3R,3aR,6R)-3-butyl-3,3a,5,6-tetrahydrothieno[3,2-c]isoxazol-6-ylcarbamate [3R-(3.alpha.,3a.beta.,6.alpha.)]-3,3a,5,6-tetrahydrothieno[3,2-c]isoxazol-6-yl carbamic acid methyl ester N-[(3R,3aR,6R)-3-butyl-3,3a,5,6-tetrahydrothieno[3,2-c]isoxazol-6-yl]carbamic acid methyl ester Methyl N-[(3R,3aR,6R)-3-butyl-3,3a,5,6-tetrahydrothieno[3,2-c]isoxazol-6-yl]carbamate Methyl N-[(3R,3aR,6R)-3-butyl-3,3a,5,6-tetrahydrothieno[3,2-c][1,2]oxazol-6-yl]carbamate |
| Wiley ID | 1261325 |