![Dimethyl 5-[(methoxycarbonyl)amino]isophthalate](/api/spectrum/87r3OUEX2G7/structure.png?h=300&w=458 "Dimethyl 5-[(methoxycarbonyl)amino]isophthalate")
| SpectraBase Compound ID | L6zfEfPCbS8 |
|---|---|
| InChI | InChI=1S/C12H13NO6/c1-17-10(14)7-4-8(11(15)18-2)6-9(5-7)13-12(16)19-3/h4-6H,1-3H3,(H,13,16) |
| InChIKey | SIXGHTIMNMPGMO-UHFFFAOYSA-N |
| Mol Weight | 267.24 g/mol |
| Molecular Formula | C12H13NO6 |
| Exact Mass | 267.074287 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 87r3OUEX2G7 |
|---|---|
| Name | Dimethyl 5-[(methoxycarbonyl)amino]isophthalate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.074287137 u |
| Formula | C12H13NO6 |
| InChI | InChI=1S/C12H13NO6/c1-17-10(14)7-4-8(11(15)18-2)6-9(5-7)13-12(16)19-3/h4-6H,1-3H3,(H,13,16) |
| InChIKey | SIXGHTIMNMPGMO-UHFFFAOYSA-N |
| Molecular Weight | 267.237 g/mol |
| SMILES | N(C=1C=C(C=C(C(=O)OC)C1)C(=O)OC)C(=O)OC |