| SpectraBase Compound ID | J3BeI8clwML |
|---|---|
| InChI | InChI=1S/C11H13NO/c1-9(6-7-12)10-4-3-5-11(8-10)13-2/h3-5,8-9H,6H2,1-2H3 |
| InChIKey | IGPPDAQPUBQLCG-UHFFFAOYSA-N |
| Mol Weight | 175.23 g/mol |
| Molecular Formula | C11H13NO |
| Exact Mass | 175.099714 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3KzLVaaQ9r0 |
|---|---|
| Name | 3-(3-Methoxyphenyl)butanenitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H13NO |
| InChI | InChI=1S/C11H13NO/c1-9(6-7-12)10-4-3-5-11(8-10)13-2/h3-5,8-9H,6H2,1-2H3 |
| InChIKey | IGPPDAQPUBQLCG-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002/anie.201402053 |
| Molecular Weight | 175.231 g/mol |
| SMILES | c1(cccc(C(CC#N)C)c1)OC |
| SPLASH | splash10-000i-0900000000-58088929ccff57f552b7 |
| Source of Spectrum | ACI-53-SM40-5g |
| Wiley ID | 1782483 |