| SpectraBase Compound ID | 1mxZDFUM38C |
|---|---|
| InChI | InChI=1S/C33H42N2O5S/c1-2-3-4-5-6-7-8-9-10-14-25-40-30-21-17-29(18-22-30)35-41(38,39)31-23-19-28(20-24-31)34-33(37)26-32(36)27-15-12-11-13-16-27/h11-13,15-24,35H,2-10,14,25-26H2,1H3,(H,34,37) |
| InChIKey | AKDHUUVAOWYXMG-UHFFFAOYSA-N |
| Mol Weight | 578.8 g/mol |
| Molecular Formula | C33H42N2O5S |
| Exact Mass | 578.281444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JLoSVNXjvMe |
|---|---|
| Name | 2-Benzoyl-4'-(p-dodecyloxyphenylsulfamoyl)acetanilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 578.281443629 u |
| Formula | C33H42N2O5S |
| InChI | InChI=1S/C33H42N2O5S/c1-2-3-4-5-6-7-8-9-10-14-25-40-30-21-17-29(18-22-30)35-41(38,39)31-23-19-28(20-24-31)34-33(37)26-32(36)27-15-12-11-13-16-27/h11-13,15-24,35H,2-10,14,25-26H2,1H3,(H,34,37) |
| InChIKey | AKDHUUVAOWYXMG-UHFFFAOYSA-N |
| Molecular Weight | 578.768 g/mol |
| SMILES | N(C(CC(C1=CC=CC=C1)=O)=O)C=1C=CC(S(=O)(=O)NC=2C=CC(=CC2)OCCCCCCCCCCCC)=CC1 |