| SpectraBase Compound ID | Jkgmu5JPlKQ |
|---|---|
| InChI | InChI=1S/C11H12Br2N4S/c1-7-5-8(12)10(9(13)6-7)16-11(18)17-15-4-2-3-14/h5-6,15H,2,4H2,1H3,(H2,16,17,18) |
| InChIKey | IKCUUXOJCNBTQU-UHFFFAOYSA-N |
| Mol Weight | 392.11 g/mol |
| Molecular Formula | C11H12Br2N4S |
| Exact Mass | 389.914944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J7x60CAw459 |
|---|---|
| Name | 1-(2-Cyanoethyl)-4-(2,6-dibromo-p-tolyl)-3-thiosemicarbazide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 389.914943576 u |
| Formula | C11H12Br2N4S |
| InChI | InChI=1S/C11H12Br2N4S/c1-7-5-8(12)10(9(13)6-7)16-11(18)17-15-4-2-3-14/h5-6,15H,2,4H2,1H3,(H2,16,17,18) |
| InChIKey | IKCUUXOJCNBTQU-UHFFFAOYSA-N |
| Molecular Weight | 392.113 g/mol |
| SMILES | N(C1=C(C=C(C=C1Br)C)Br)C(NNCCC#N)=S |