| SpectraBase Compound ID | 8wShebUy170 |
|---|---|
| InChI | InChI=1S/C17H21N3S/c1-18-17(21)20-11-9-19(10-12-20)13-15-7-4-6-14-5-2-3-8-16(14)15/h2-8H,9-13H2,1H3,(H,18,21) |
| InChIKey | CVAANVVEEMWVTD-UHFFFAOYSA-N |
| Mol Weight | 299.44 g/mol |
| Molecular Formula | C17H21N3S |
| Exact Mass | 299.145619 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2nowxHYeHRr |
|---|---|
| Name | 1-Piperazinecarbothioamide, N-methyl-4-(1-naphthalenylmethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.145618862 u |
| Formula | C17H21N3S |
| InChI | InChI=1S/C17H21N3S/c1-18-17(21)20-11-9-19(10-12-20)13-15-7-4-6-14-5-2-3-8-16(14)15/h2-8H,9-13H2,1H3,(H,18,21) |
| InChIKey | CVAANVVEEMWVTD-UHFFFAOYSA-N |
| SMILES | N(C(N1CCN(CC1)CC=1C=2C(=CC=CC2)C=CC1)=S)C |