| SpectraBase Spectrum ID |
48tJWPBzKvB |
| Name |
3-{[3,5-bis(Ethoxycarbonyl)anilino]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.142366697 u |
| Formula |
C20H23NO8 |
| InChI |
InChI=1S/C20H23NO8/c1-3-27-19(25)10-7-11(20(26)28-4-2)9-12(8-10)21-17(22)15-13-5-6-14(29-13)16(15)18(23)24/h7-9,13-16H,3-6H2,1-2H3,(H,21,22)(H,23,24)/t13-,14+,15+,16+/m0/s1 |
| InChIKey |
KFAGGKYAWMFPEC-ZJIFWQFVSA-N |
| Molecular Weight |
405.403 g/mol |
| SMILES |
OC([C@]1([C@](C(NC=2C=C(C(=O)OCC)C=C(C2)C(=O)OCC)=O)([C@]2(O[C@@]1(CC2)[H])[H])[H])[H])=O |
![3-{[3,5-bis(Ethoxycarbonyl)anilino]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid](/api/spectrum/48tJWPBzKvB/structure.png?h=300&w=458 "3-{[3,5-bis(Ethoxycarbonyl)anilino]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid")
