| SpectraBase Compound ID | EXtTuPwCM6n |
|---|---|
| InChI | InChI=1S/C6H11N/c1-6(2)4-3-5-7/h6H,3-4H2,1-2H3/i4D2 |
| InChIKey | DUJMVKJJUANUMQ-APZFVMQVSA-N |
| Mol Weight | 99.17 g/mol |
| Molecular Formula | C6H9D2N |
| Exact Mass | 99.101703 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9BUQTyND4Ys |
|---|---|
| Name | 4-Methylpentanenitrile-3,3-D2 |
| CAS Registry Number | 19424-32-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H9D2N |
| InChI | InChI=1S/C6H11N/c1-6(2)4-3-5-7/h6H,3-4H2,1-2H3/i4D2 |
| InChIKey | DUJMVKJJUANUMQ-APZFVMQVSA-N |
| Molecular Weight | 99.173 g/mol |
| SMILES | C(#N)CC(C(C)C)([D])[D] |
| SPLASH | splash10-0a4i-9000000000-298149020944b6b3c4f6 |
| Source of Spectrum | DJ-87-325-4 |
| Wiley ID | 1118426 |