![3-{[3,5-bis(Isopropoxycarbonyl)anilino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid](/api/spectrum/HJBf0nrmVJN/structure.png?h=300&w=458 "3-{[3,5-bis(Isopropoxycarbonyl)anilino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid")
| SpectraBase Compound ID | 7YV6X304lMU |
|---|---|
| InChI | InChI=1S/C23H27NO7/c1-11(2)30-22(28)15-8-16(23(29)31-12(3)4)10-17(9-15)24-20(25)18-13-5-6-14(7-13)19(18)21(26)27/h5-6,8-14,18-19H,7H2,1-4H3,(H,24,25)(H,26,27)/t13-,14+,18-,19-/m0/s1 |
| InChIKey | LJORUAWHBYYAPG-FTUNRGFVSA-N |
| Mol Weight | 429.47 g/mol |
| Molecular Formula | C23H27NO7 |
| Exact Mass | 429.178752 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HJBf0nrmVJN |
|---|---|
| Name | 3-{[3,5-bis(Isopropoxycarbonyl)anilino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 429.178752206 u |
| Formula | C23H27NO7 |
| InChI | InChI=1S/C23H27NO7/c1-11(2)30-22(28)15-8-16(23(29)31-12(3)4)10-17(9-15)24-20(25)18-13-5-6-14(7-13)19(18)21(26)27/h5-6,8-14,18-19H,7H2,1-4H3,(H,24,25)(H,26,27)/t13-,14+,18-,19-/m0/s1 |
| InChIKey | LJORUAWHBYYAPG-FTUNRGFVSA-N |
| Molecular Weight | 429.469 g/mol |
| SMILES | OC([C@]1([C@@]2(C=C[C@]([C@@]1(C(NC=1C=C(C(OC(C)C)=O)C=C(C(OC(C)C)=O)C1)=O)[H])(C2)[H])[H])[H])=O |