| SpectraBase Spectrum ID |
LuqqDhNz9Cp |
| Name |
(3ar,4S,5R,7ar)-3-(4-Benzyloxybenzoyl)-4,5-dihydroxy-hexahydro-benzooxazol-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
383.136887394 u |
| Formula |
C21H21NO6 |
| InChI |
InChI=1S/C21H21NO6/c23-16-10-11-17-18(19(16)24)22(21(26)28-17)20(25)14-6-8-15(9-7-14)27-12-13-4-2-1-3-5-13/h1-9,16-19,23-24H,10-12H2/t16-,17-,18+,19-/m1/s1 |
| InChIKey |
MICRPFGUTLUXRQ-AKHDSKFASA-N |
| Molecular Weight |
383.400 g/mol |
| SMILES |
C1(N([C@]2([C@](O1)(CC[C@]([C@]2(O)[H])(O)[H])[H])[H])C(C1=CC=C(OCC=2C=CC=CC2)C=C1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82334 |
