| SpectraBase Compound ID | FhnUYlTMgvl |
|---|---|
| InChI | InChI=1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8+/m0/s1 |
| InChIKey | VHVGNTVUSQUXPS-JGVFFNPUSA-N |
| Mol Weight | 181.19 g/mol |
| Molecular Formula | C9H11NO3 |
| Exact Mass | 181.073893 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4YCcnsXjZo8 |
|---|---|
| Name | dl-Threo-beta-phenylserine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.073893215 u |
| Formula | C9H11NO3 |
| InChI | InChI=1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8+/m0/s1 |
| InChIKey | VHVGNTVUSQUXPS-JGVFFNPUSA-N |
| SMILES | OC([C@]([C@@](C=1C=CC=CC1)(O)[H])(N)[H])=O |
| Spectrum/Structure Validation Score (Raman) | 0.981969 |