| SpectraBase Compound ID | 1POJV1KOgL1 |
|---|---|
| InChI | InChI=1S/C11H13N/c1-11(2,8-9-12)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3 |
| InChIKey | GDMNROWUYDCXRE-UHFFFAOYSA-N |
| Mol Weight | 159.23 g/mol |
| Molecular Formula | C11H13N |
| Exact Mass | 159.104799 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2WiwdUK4yDR |
|---|---|
| Name | 3-Methyl-3-phenylbutanenitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H13N |
| InChI | InChI=1S/C11H13N/c1-11(2,8-9-12)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3 |
| InChIKey | GDMNROWUYDCXRE-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1021/acs.joc.6b00116 |
| Molecular Weight | 159.232 g/mol |
| SMILES | C(#N)CC(c1ccccc1)(C)C |
| SPLASH | splash10-0abc-5900000000-111011980861bb407bbf |
| Source of Spectrum | J-81-3165-3c |
| Wiley ID | 1804422 |