| SpectraBase Spectrum ID |
HGWcHY4w9pH |
| Name |
3-oxa-6-Azabicyclo[3.2.2]nonane-6,7-dicarboxylic acid, 2-oxo-, 7-methyl 6-(phenylmethyl) ester, (1.alpha.,5.alpha.,7.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.121237330 u |
| Formula |
C17H19NO6 |
| InChI |
InChI=1S/C17H19NO6/c1-22-16(20)14-13-8-7-12(10-23-15(13)19)18(14)17(21)24-9-11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13-,14-/m1/s1 |
| InChIKey |
OUCZJDBGNOAVRB-MGPQQGTHSA-N |
| Molecular Weight |
333.340 g/mol |
| SMILES |
[C@@]1(N([C@]2(COC([C@@]1(CC2)[H])=O)[H])C(OCC1=CC=CC=C1)=O)(C(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859547 |
![3-Oxa-6-azabicyclo[3.2.2]nonane-6,7-dicarboxylic acid, 2-oxo-, 7-methyl 6-(phenylmethyl) ester, (1.alpha.,5.alpha.,7.alpha.)-](/api/spectrum/HGWcHY4w9pH/structure.png?h=300&w=458 "3-Oxa-6-azabicyclo[3.2.2]nonane-6,7-dicarboxylic acid, 2-oxo-, 7-methyl 6-(phenylmethyl) ester, (1.alpha.,5.alpha.,7.alpha.)-")
