| SpectraBase Spectrum ID |
8oEZpsIK4rG |
| Name |
(1S,5R)-8-exo-Benzyloxymethyl-3-dimethylamino-6-exo,7-endo-dihydroxy-2-oxa-4-azabicyclo-[3.3.0]-oct-3-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.157957192 u |
| Formula |
C16H22N2O4 |
| InChI |
InChI=1S/C16H22N2O4/c1-18(2)16-17-12-14(20)13(19)11(15(12)22-16)9-21-8-10-6-4-3-5-7-10/h3-7,11-15,19-20H,8-9H2,1-2H3/t11-,12-,13-,14-,15+/m0/s1 |
| InChIKey |
LXDRXJCORVTHFH-YYFQZIEXSA-N |
| Molecular Weight |
306.362 g/mol |
| SMILES |
[C@@]12(N=C(O[C@@]2([C@]([C@@]([C@]1(O)[H])(O)[H])(COCC1=CC=CC=C1)[H])[H])N(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855073 |
![(1S,5R)-8-exo-Benzyloxymethyl-3-dimethylamino-6-exo,7-endo-dihydroxy-2-oxa-4-azabicyclo-[3.3.0]-oct-3-ene](/api/spectrum/8oEZpsIK4rG/structure.png?h=300&w=458 "(1S,5R)-8-exo-Benzyloxymethyl-3-dimethylamino-6-exo,7-endo-dihydroxy-2-oxa-4-azabicyclo-[3.3.0]-oct-3-ene")
