![p-[3-(Hydroxymethyl)-3-methyl-1-triazeno]benzoic acid, methyl ester](/api/spectrum/AvHwaNzM3cg/structure.png?h=300&w=458 "p-[3-(Hydroxymethyl)-3-methyl-1-triazeno]benzoic acid, methyl ester")
| SpectraBase Compound ID | 6bHLvWaJTu0 |
|---|---|
| InChI | InChI=1S/C10H13N3O3/c1-13(7-14)12-11-9-5-3-8(4-6-9)10(15)16-2/h3-6,14H,7H2,1-2H3/b12-11+ |
| InChIKey | BLAFWWCVPZFQTO-VAWYXSNFSA-N |
| Mol Weight | 223.23 g/mol |
| Molecular Formula | C10H13N3O3 |
| Exact Mass | 223.095691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AvHwaNzM3cg |
|---|---|
| Name | p-[3-(Hydroxymethyl)-3-methyl-1-triazeno]benzoic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.095691288 u |
| Formula | C10H13N3O3 |
| InChI | InChI=1S/C10H13N3O3/c1-13(7-14)12-11-9-5-3-8(4-6-9)10(15)16-2/h3-6,14H,7H2,1-2H3/b12-11+ |
| InChIKey | BLAFWWCVPZFQTO-VAWYXSNFSA-N |
| Molecular Weight | 223.232 g/mol |
| SMILES | OCN(\N=N\C=1C=CC(=CC1)C(OC)=O)C |