| 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 | 1EVRA8XqBSU |
|---|---|
| Name | beta,beta-Dimethylbenzenepropanenitrile |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 |
| Molecular Weight | 159.1045 |
| SMILES | c1ccc(C(CC#N)(C)C)cc1 |
| SPLASH | splash10-016r-9000000000-ef5cb813401c9eae014e |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |