| SpectraBase Compound ID | 8nlTwqQkvd3 |
|---|---|
| InChI | InChI=1S/C11H9NO/c1-2-7-13-9-11-5-3-10(8-12)4-6-11/h1,3-6H,7,9H2 |
| InChIKey | GVQOTZVZHMIRQR-UHFFFAOYSA-N |
| Mol Weight | 171.2 g/mol |
| Molecular Formula | C11H9NO |
| Exact Mass | 171.068414 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E7a8Aj0SUcb |
|---|---|
| Name | 4-(Prop-2-ynoxymethyl)benzenecarbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.068413913 u |
| Formula | C11H9NO |
| InChI | InChI=1S/C11H9NO/c1-2-7-13-9-11-5-3-10(8-12)4-6-11/h1,3-6H,7,9H2 |
| InChIKey | GVQOTZVZHMIRQR-UHFFFAOYSA-N |
| Molecular Weight | 171.199 g/mol |
| SMILES | C(#N)C=1C=CC(=CC1)COCC#C |