| SpectraBase Compound ID | ddd8PQIN3R |
|---|---|
| InChI | InChI=1S/C14H17NO5/c1-15-9(14(16)20-5)6-8-7-10(17-2)12(18-3)13(19-4)11(8)15/h6-7H,1-5H3 |
| InChIKey | LOHPWAFCFZZNPA-UHFFFAOYSA-N |
| Mol Weight | 279.29 g/mol |
| Molecular Formula | C14H17NO5 |
| Exact Mass | 279.110673 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EoSqYSu9YEx |
|---|---|
| Name | 5,6,7-Trimethoxy-1-methyl-2-indolecarboxylic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.110672646 u |
| Formula | C14H17NO5 |
| InChI | InChI=1S/C14H17NO5/c1-15-9(14(16)20-5)6-8-7-10(17-2)12(18-3)13(19-4)11(8)15/h6-7H,1-5H3 |
| InChIKey | LOHPWAFCFZZNPA-UHFFFAOYSA-N |
| SMILES | C=1(N(C2=C(C1)C=C(C(=C2OC)OC)OC)C)C(=O)OC |