| SpectraBase Compound ID | 16rng0K1j3Y |
|---|---|
| InChI | InChI=1S/C9H9NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,1H3 |
| InChIKey | VHGYYIXSLHYRBH-UHFFFAOYSA-N |
| Mol Weight | 179.17 g/mol |
| Molecular Formula | C9H9NO3 |
| Exact Mass | 179.058243 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2nmFdA5EsLN |
|---|---|
| Name | 3-Methoxy-4-hydroxy mandelonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.058243151 u |
| Formula | C9H9NO3 |
| InChI | InChI=1S/C9H9NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,1H3 |
| InChIKey | VHGYYIXSLHYRBH-UHFFFAOYSA-N |
| Molecular Weight | 179.175 g/mol |
| SMILES | C(C(O)C1=CC(=C(C=C1)O)OC)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925648 |