| SpectraBase Compound ID | 3182Wx6V0Jj |
|---|---|
| InChI | InChI=1S/C10H13NO3.H2O/c1-2-14-8-6-4-3-5-7(8)9(11)10(12)13;/h3-6,9H,2,11H2,1H3,(H,12,13);1H2 |
| InChIKey | KVJNHZMYMGZCRT-UHFFFAOYSA-N |
| Mol Weight | 213.233 g/mol |
| Molecular Formula | C10H15NO4 |
| Exact Mass | 213.100108 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | IFesHXl3QI0 |
|---|---|
| Name | dl-2-(o-Ethoxyphenyl)glycine, hydrate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.100107963 u |
| Formula | C10H15NO4 |
| InChI | InChI=1S/C10H13NO3.H2O/c1-2-14-8-6-4-3-5-7(8)9(11)10(12)13;/h3-6,9H,2,11H2,1H3,(H,12,13);1H2 |
| InChIKey | KVJNHZMYMGZCRT-UHFFFAOYSA-N |
| SMILES | [NH3+]C(C=1C=CC=CC1OCC)C([O-])=O.O |
| Spectrum/Structure Validation Score (Raman) | 0.981147 |