| SpectraBase Spectrum ID |
3cuSKTNKWGO |
| Name |
(5R,5aR,10aR,10bS)-5-Phenylthiooctahydrooxepino[3,4-d]isoxazol[b-1,2]pyrrolo-1(3H)-one |
| Alternate Name(s) |
(5R,5aR,10aR,10bS)-5-(phenylsulfanyl)octahydrooxepino[3,4-d]pyrrolo[1,2-b]isoxazol-1(3H)-one
(5RS,5aRS,10aRS,10bSR)-5-Phenylthiooctahydrooxepino[3,4-d]pyrrolo[1,2-b]isoxazol-1(3H)-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H19NO3S |
| InChI |
InChI=1S/C16H19NO3S/c18-16-14-12-7-4-9-17(12)20-15(14)13(8-10-19-16)21-11-5-2-1-3-6-11/h1-3,5-6,12-15H,4,7-10H2/t12-,13-,14+,15+/m1/s1 |
| InChIKey |
YMOCOJCFCZFEQJ-KBXIAJHMSA-N |
| Molecular Weight |
305.392 g/mol |
| SMILES |
[C@]12([C@]([C@]3(CCCN3O2)[H])(C(OCC[C@]1(Sc1ccccc1)[H])=O)[H])[H] |
| SPLASH |
splash10-000i-9301000000-07e25e6947e0ad55d1eb |
| Source of Spectrum |
F-53-16815-20 |
| Wiley ID |
804797 |
![(5R,5aR,10aR,10bS)-5-Phenylthiooctahydrooxepino[3,4-d]isoxazol[b-1,2]pyrrolo-1(3H)-one](/api/spectrum/3cuSKTNKWGO/structure.png?h=300&w=458 "(5R,5aR,10aR,10bS)-5-Phenylthiooctahydrooxepino[3,4-d]isoxazol[b-1,2]pyrrolo-1(3H)-one")
