| SpectraBase Compound ID | 6rE17fWMVWr |
|---|---|
| InChI | InChI=1S/C14H19NO4/c1-8(2)18-13(16)10-5-11(7-12(15)6-10)14(17)19-9(3)4/h5-9H,15H2,1-4H3 |
| InChIKey | NDKPWDCVTVYVOW-UHFFFAOYSA-N |
| Mol Weight | 265.31 g/mol |
| Molecular Formula | C14H19NO4 |
| Exact Mass | 265.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IbwClFUKOwc |
|---|---|
| Name | Isophthalic acid, 5-amino-, diisopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.131408092 u |
| Formula | C14H19NO4 |
| InChI | InChI=1S/C14H19NO4/c1-8(2)18-13(16)10-5-11(7-12(15)6-10)14(17)19-9(3)4/h5-9H,15H2,1-4H3 |
| InChIKey | NDKPWDCVTVYVOW-UHFFFAOYSA-N |
| Molecular Weight | 265.309 g/mol |
| SMILES | NC=1C=C(C(OC(C)C)=O)C=C(C1)C(OC(C)C)=O |