| SpectraBase Compound ID | KGnymeHlpTK |
|---|---|
| InChI | InChI=1S/C11H13NO3/c12-6-5-9-1-3-11(4-2-9)15-8-10(14)7-13/h1-4,10,13-14H,5,7-8H2 |
| InChIKey | KJYYNSOVXCPTIU-UHFFFAOYSA-N |
| Mol Weight | 207.23 g/mol |
| Molecular Formula | C11H13NO3 |
| Exact Mass | 207.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1queGJeei5N |
|---|---|
| Name | Benzeneacetonitrile, 4-(2,3-dihydroxypropoxy)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.089543280 u |
| Formula | C11H13NO3 |
| InChI | InChI=1S/C11H13NO3/c12-6-5-9-1-3-11(4-2-9)15-8-10(14)7-13/h1-4,10,13-14H,5,7-8H2 |
| InChIKey | KJYYNSOVXCPTIU-UHFFFAOYSA-N |
| Molecular Weight | 207.229 g/mol |
| SMILES | OCC(COC1=CC=C(C=C1)CC#N)O |