![N-{[(1-bromo-2-naphthyl)oxy]acetyl}-N'-cyclohexylthiourea](/api/spectrum/4iwUw4MFFS6/structure.png?h=300&w=458 "N-{[(1-bromo-2-naphthyl)oxy]acetyl}-N'-cyclohexylthiourea")
| SpectraBase Compound ID | 3ZNAFEcUP3R |
|---|---|
| InChI | InChI=1S/C19H21BrN2O2S/c20-18-15-9-5-4-6-13(15)10-11-16(18)24-12-17(23)22-19(25)21-14-7-2-1-3-8-14/h4-6,9-11,14H,1-3,7-8,12H2,(H2,21,22,23,25) |
| InChIKey | PJZLESJEZSPHOK-UHFFFAOYSA-N |
| Mol Weight | 421.35 g/mol |
| Molecular Formula | C19H21BrN2O2S |
| Exact Mass | 420.050712 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4iwUw4MFFS6 |
|---|---|
| Name | N-{[(1-bromo-2-naphthyl)oxy]acetyl}-N'-cyclohexylthiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 420.050712096 u |
| Formula | C19H21BrN2O2S |
| InChI | InChI=1S/C19H21BrN2O2S/c20-18-15-9-5-4-6-13(15)10-11-16(18)24-12-17(23)22-19(25)21-14-7-2-1-3-8-14/h4-6,9-11,14H,1-3,7-8,12H2,(H2,21,22,23,25) |
| InChIKey | PJZLESJEZSPHOK-UHFFFAOYSA-N |
| Molecular Weight | 421.353 g/mol |
| SMILES | N(C(NC1CCCCC1)=S)C(=O)COC=1C(=C2C=CC=CC2=CC1)Br |