| SpectraBase Compound ID | AQhTcbeLiLE |
|---|---|
| InChI | InChI=1S/C29H38N4O3S/c1-2-3-4-5-6-7-8-9-16-21-26(34)31-29(37)33-32-28(36)25(22-23-17-12-10-13-18-23)30-27(35)24-19-14-11-15-20-24/h10-15,17-20,22H,2-9,16,21H2,1H3,(H,30,35)(H,32,36)(H2,31,33,34,37) |
| InChIKey | UHVPDMQZQMQGSZ-UHFFFAOYSA-N |
| Mol Weight | 522.7 g/mol |
| Molecular Formula | C29H38N4O3S |
| Exact Mass | 522.266462 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Dmb2g786w |
|---|---|
| Name | 1-(2-Benzamido-3-phenylacryloyl)-4-dodecanoylthiosemicarbazide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 522.266462271 u |
| Formula | C29H38N4O3S |
| InChI | InChI=1S/C29H38N4O3S/c1-2-3-4-5-6-7-8-9-16-21-26(34)31-29(37)33-32-28(36)25(22-23-17-12-10-13-18-23)30-27(35)24-19-14-11-15-20-24/h10-15,17-20,22H,2-9,16,21H2,1H3,(H,30,35)(H,32,36)(H2,31,33,34,37) |
| InChIKey | UHVPDMQZQMQGSZ-UHFFFAOYSA-N |
| Molecular Weight | 522.708 g/mol |
| SMILES | C(NNC(\C(=C\C=1C=CC=CC1)NC(C=1C=CC=CC1)=O)=O)(=S)NC(CCCCCCCCCCC)=O |