| SpectraBase Spectrum ID |
yKY8JjXjSy |
| Name |
Methyl rel-(1R,3S,5S,6aR,9aS,9bS)-5-n-Butoxy-9b-methylhexa-hydro-1H-isooxazolo[2,3,4-H][2,1]benzoxazine-1-carboxylate |
| Alternate Name(s) |
Methyl (2R,2aS,5aR,7S,9aS)-7-butoxy-9a-methyloctahydro-2H-isoxazolo[4,3,2-ij][2,1]benzoxazine-2-carboxylate |
| CAS Registry Number |
124222-31-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H27NO5 |
| InChI |
InChI=1S/C16H27NO5/c1-4-5-9-20-13-10-11-7-6-8-12-14(15(18)19-3)22-17(21-13)16(11,12)2/h11-14H,4-10H2,1-3H3/t11-,12-,13+,14-,16+/m1/s1 |
| InChIKey |
FWAKLXFXPMJZLN-SSZWKKLZSA-N |
| Molecular Weight |
313.394 g/mol |
| SMILES |
[C@@]12(N3O[C@@](C[C@]1(CCC[C@]2([H])[C@@](O3)(C(=O)OC)[H])[H])(OCCCC)[H])C |
| SPLASH |
splash10-001i-1931000000-51252a389c3fc1c6415c |
| Source of Spectrum |
C-112-315-11 |
| Wiley ID |
1314197 |
![Methyl rel-(1R,3S,5S,6aR,9aS,9bS)-5-n-Butoxy-9b-methylhexa-hydro-1H-isooxazolo[2,3,4-H][2,1]benzoxazine-1-carboxylate](/api/spectrum/yKY8JjXjSy/structure.png?h=300&w=458 "Methyl rel-(1R,3S,5S,6aR,9aS,9bS)-5-n-Butoxy-9b-methylhexa-hydro-1H-isooxazolo[2,3,4-H][2,1]benzoxazine-1-carboxylate")
