| SpectraBase Compound ID | IiNFbxsjjbq |
|---|---|
| InChI | InChI=1S/C10H9NO2/c1-8(12)13-10(7-11)9-5-3-2-4-6-9/h2-6,10H,1H3 |
| InChIKey | MUXDFYRMYMEGCM-UHFFFAOYSA-N |
| Mol Weight | 175.19 g/mol |
| Molecular Formula | C10H9NO2 |
| Exact Mass | 175.063329 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 19HjxI1Lpkp |
|---|---|
| Name | .alpha.-Cyanobenzyl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.063328532 u |
| Formula | C10H9NO2 |
| InChI | InChI=1S/C10H9NO2/c1-8(12)13-10(7-11)9-5-3-2-4-6-9/h2-6,10H,1H3 |
| InChIKey | MUXDFYRMYMEGCM-UHFFFAOYSA-N |
| Molecular Weight | 175.187 g/mol |
| SMILES | C(#N)C(OC(=O)C)C=1C=CC=CC1 |