| SpectraBase Compound ID | Ggxq97hJ6Cp |
|---|---|
| InChI | InChI=1S/C8H13N3S2/c1-2-4-9-7(12)11-6-3-5-10-8(11)13/h2H,1,3-6H2,(H,9,12)(H,10,13) |
| InChIKey | YCVKUNJWGJAISU-UHFFFAOYSA-N |
| Mol Weight | 215.33 g/mol |
| Molecular Formula | C8H13N3S2 |
| Exact Mass | 215.05509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B4IRkillFLH |
|---|---|
| Name | N-Allyl-2-thioxo-hexahydropyrimidine-1-carbothioamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.055089779 u |
| Formula | C8H13N3S2 |
| InChI | InChI=1S/C8H13N3S2/c1-2-4-9-7(12)11-6-3-5-10-8(11)13/h2H,1,3-6H2,(H,9,12)(H,10,13) |
| InChIKey | YCVKUNJWGJAISU-UHFFFAOYSA-N |
| Molecular Weight | 215.333 g/mol |
| SMILES | C1(N(CCCN1)C(=S)NCC=C)=S |