| SpectraBase Compound ID | 9yoO9q2w93b |
|---|---|
| InChI | InChI=1S/C10H10BrNO/c1-8-3-4-10(9(11)7-8)13-6-2-5-12/h3-4,7H,2,6H2,1H3 |
| InChIKey | ZMIRVQCWIPDYHN-UHFFFAOYSA-N |
| Mol Weight | 240.1 g/mol |
| Molecular Formula | C10H10BrNO |
| Exact Mass | 238.994577 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CzJA3LpsbAB |
|---|---|
| Name | 3-(2-Bromo-4-methyl-phenoxy)propionitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.994576945 u |
| Formula | C10H10BrNO |
| InChI | InChI=1S/C10H10BrNO/c1-8-3-4-10(9(11)7-8)13-6-2-5-12/h3-4,7H,2,6H2,1H3 |
| InChIKey | ZMIRVQCWIPDYHN-UHFFFAOYSA-N |
| Molecular Weight | 240.100 g/mol |
| SMILES | C(#N)CCOC1=C(C=C(C)C=C1)Br |