| SpectraBase Compound ID | CO4oyBOr7GN |
|---|---|
| InChI | InChI=1S/C22H19NO4/c23-20-12-18(21(24)26-14-16-7-3-1-4-8-16)11-19(13-20)22(25)27-15-17-9-5-2-6-10-17/h1-13H,14-15,23H2 |
| InChIKey | VDJWRMQQXQBYIO-UHFFFAOYSA-N |
| Mol Weight | 361.4 g/mol |
| Molecular Formula | C22H19NO4 |
| Exact Mass | 361.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CZLBRhwCbem |
|---|---|
| Name | Dibenzyl 5-aminoisophthalate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 361.131408092 u |
| Formula | C22H19NO4 |
| InChI | InChI=1S/C22H19NO4/c23-20-12-18(21(24)26-14-16-7-3-1-4-8-16)11-19(13-20)22(25)27-15-17-9-5-2-6-10-17/h1-13H,14-15,23H2 |
| InChIKey | VDJWRMQQXQBYIO-UHFFFAOYSA-N |
| Molecular Weight | 361.397 g/mol |
| SMILES | NC=1C=C(C=C(C1)C(OCC=1C=CC=CC1)=O)C(OCC=1C=CC=CC1)=O |