| SpectraBase Compound ID | LQqiGwUpbRJ |
|---|---|
| InChI | InChI=1S/C8H9NO3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-6,10H,1H3/t6-/m0/s1 |
| InChIKey | DSDBYQDNNWCLHL-LURJTMIESA-N |
| Mol Weight | 167.16 g/mol |
| Molecular Formula | C8H9NO3 |
| Exact Mass | 167.058243 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5vLeAnYBv8s |
|---|---|
| Name | (S)-1-(2-Nitrophenyl)-ethanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.058243151 u |
| Formula | C8H9NO3 |
| InChI | InChI=1S/C8H9NO3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-6,10H,1H3/t6-/m0/s1 |
| InChIKey | DSDBYQDNNWCLHL-LURJTMIESA-N |
| SMILES | C1(N(=O)=O)=C([C@@](O)(C)[H])C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916753 |