| SpectraBase Compound ID | 1HH4Hmirxwe |
|---|---|
| InChI | InChI=1S/C17H17NO6/c1-21-13-8-10(9-14(22-2)15(13)23-3)17(20)24-12-7-5-4-6-11(12)16(18)19/h4-9H,1-3H3,(H2,18,19) |
| InChIKey | WQTXLKOBLJGIOK-UHFFFAOYSA-N |
| Mol Weight | 331.32 g/mol |
| Molecular Formula | C17H17NO6 |
| Exact Mass | 331.105587 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hk2SF5BU43i |
|---|---|
| Name | 3,4,5-Trimethoxybenzoic acid, o-carbamoylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.105587265 u |
| Formula | C17H17NO6 |
| InChI | InChI=1S/C17H17NO6/c1-21-13-8-10(9-14(22-2)15(13)23-3)17(20)24-12-7-5-4-6-11(12)16(18)19/h4-9H,1-3H3,(H2,18,19) |
| InChIKey | WQTXLKOBLJGIOK-UHFFFAOYSA-N |
| SMILES | NC(C1=CC=CC=C1OC(C1=CC(=C(C(=C1)OC)OC)OC)=O)=O |