| SpectraBase Compound ID | LCpCDSnvzoc |
|---|---|
| InChI | InChI=1S/C18H19NO2/c1-14(2)21-17-9-8-15(10-11-19)12-18(17)20-13-16-6-4-3-5-7-16/h3-9,12,14H,10,13H2,1-2H3 |
| InChIKey | IWKOTVRVXIRUJY-UHFFFAOYSA-N |
| Mol Weight | 281.36 g/mol |
| Molecular Formula | C18H19NO2 |
| Exact Mass | 281.141579 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C5Ud47NwrMN |
|---|---|
| Name | Benzeneacetonitrile, 4-(1-methylethoxy)-3-(phenylmethoxy)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.141578854 u |
| Formula | C18H19NO2 |
| InChI | InChI=1S/C18H19NO2/c1-14(2)21-17-9-8-15(10-11-19)12-18(17)20-13-16-6-4-3-5-7-16/h3-9,12,14H,10,13H2,1-2H3 |
| InChIKey | IWKOTVRVXIRUJY-UHFFFAOYSA-N |
| SMILES | C(#N)CC=1C=C(OCC=2C=CC=CC2)C(=CC1)OC(C)C |