| SpectraBase Compound ID | JWqqORBiZPZ |
|---|---|
| InChI | InChI=1S/C12H13N/c1-12(2)8-9(6-7-13)10-4-3-5-11(10)12/h3-6,10H,8H2,1-2H3/b9-6+ |
| InChIKey | ZPGCJJIBQZCCQD-RMKNXTFCSA-N |
| Mol Weight | 171.24 g/mol |
| Molecular Formula | C12H13N |
| Exact Mass | 171.104799 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7m3dbofaHfN |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H13N |
| InChI | InChI=1S/C12H13N/c1-12(2)8-9(6-7-13)10-4-3-5-11(10)12/h3-6,10H,8H2,1-2H3/b9-6+ |
| InChIKey | ZPGCJJIBQZCCQD-RMKNXTFCSA-N |
| Molecular Weight | 171.1045 |
| SMILES | C=1C=CC2\C(=C\C#N)CC(C)(C)C12 |
| SPLASH | splash10-0a4i-4900000000-b738761d962759311bf3 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |