![Benzoic acid, 4-[(methylamino)methyl]-, methyl ester](/api/spectrum/HQBmOPm2Bmi/structure.png?h=300&w=458 "Benzoic acid, 4-[(methylamino)methyl]-, methyl ester")
| SpectraBase Compound ID | 8Cicd8B7CDC |
|---|---|
| InChI | InChI=1S/C10H13NO2/c1-11-7-8-3-5-9(6-4-8)10(12)13-2/h3-6,11H,7H2,1-2H3 |
| InChIKey | JAUCAJFRFIPWIZ-UHFFFAOYSA-N |
| Mol Weight | 179.22 g/mol |
| Molecular Formula | C10H13NO2 |
| Exact Mass | 179.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HQBmOPm2Bmi |
|---|---|
| Name | Benzoic acid, 4-[(methylamino)methyl]-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.094628661 u |
| Formula | C10H13NO2 |
| InChI | InChI=1S/C10H13NO2/c1-11-7-8-3-5-9(6-4-8)10(12)13-2/h3-6,11H,7H2,1-2H3 |
| InChIKey | JAUCAJFRFIPWIZ-UHFFFAOYSA-N |
| Molecular Weight | 179.219 g/mol |
| SMILES | C(NC)C1=CC=C(C=C1)C(=O)OC |