| SpectraBase Compound ID | 15aIzt2thkB |
|---|---|
| InChI | InChI=1S/C14H17Cl2N3S/c1-2-5-17-14(20)19-8-6-18(7-9-19)11-3-4-12(15)13(16)10-11/h2-4,10H,1,5-9H2,(H,17,20) |
| InChIKey | UTQYSSFAUYPYEX-UHFFFAOYSA-N |
| Mol Weight | 330.28 g/mol |
| Molecular Formula | C14H17Cl2N3S |
| Exact Mass | 329.052024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gpt9icwfJM5 |
|---|---|
| Name | N-Allyl-4-(3,4-dichlorophenyl)-1-piperazinecarbothioamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.052024133 u |
| Formula | C14H17Cl2N3S |
| InChI | InChI=1S/C14H17Cl2N3S/c1-2-5-17-14(20)19-8-6-18(7-9-19)11-3-4-12(15)13(16)10-11/h2-4,10H,1,5-9H2,(H,17,20) |
| InChIKey | UTQYSSFAUYPYEX-UHFFFAOYSA-N |
| Molecular Weight | 330.277 g/mol |
| SMILES | N(C(=S)N1CCN(C=2C=C(Cl)C(=CC2)Cl)CC1)CC=C |