| SpectraBase Compound ID | IjPuJ5rt3l0 |
|---|---|
| InChI | InChI=1S/C7H13N3S/c1-5(2)3-7(10,4-8)6(9)11/h5H,3,10H2,1-2H3,(H2,9,11) |
| InChIKey | KHXZTKXFAMKAID-UHFFFAOYSA-N |
| Mol Weight | 171.26 g/mol |
| Molecular Formula | C7H13N3S |
| Exact Mass | 171.083019 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | K9UWueMPwE7 |
|---|---|
| Name | 2-AMINO-2-CYANO-4-METHYLPENTANETHIOIC ACID AMIDE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H13N3S |
| InChI | InChI=1S/C7H13N3S/c1-5(2)3-7(10,4-8)6(9)11/h5H,3,10H2,1-2H3,(H2,9,11) |
| InChIKey | KHXZTKXFAMKAID-UHFFFAOYSA-N |
| Molecular Weight | 171.0828 |
| SMILES | NC(C(=S)N)(C#N)CC(C)C |
| SPLASH | splash10-0296-9300000000-c1dae21268bb4a9b2609 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |