![6'-Chloro-2-cyclohexyl-4'-{[2-(diethylamino)ethyl]carbamoyl}-2-phenyl-m-acetanisidide](/api/spectrum/FEDOtdzaqdK/structure.png?h=300&w=458 "6'-Chloro-2-cyclohexyl-4'-{[2-(diethylamino)ethyl]carbamoyl}-2-phenyl-m-acetanisidide")
| SpectraBase Compound ID | 87KWp6BTZXp |
|---|---|
| InChI | InChI=1S/C28H38ClN3O3/c1-4-32(5-2)17-16-30-27(33)22-18-23(29)24(19-25(22)35-3)31-28(34)26(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6,8-9,12-13,18-19,21,26H,4-5,7,10-11,14-17H2,1-3H3,(H,30,33)(H,31,34) |
| InChIKey | XNYZRMAEMMVIKT-UHFFFAOYSA-N |
| Mol Weight | 500.1 g/mol |
| Molecular Formula | C28H38ClN3O3 |
| Exact Mass | 499.26017 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FEDOtdzaqdK |
|---|---|
| Name | 6'-Chloro-2-cyclohexyl-4'-{[2-(diethylamino)ethyl]carbamoyl}-2-phenyl-m-acetanisidide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 499.260169793 u |
| Formula | C28H38ClN3O3 |
| InChI | InChI=1S/C28H38ClN3O3/c1-4-32(5-2)17-16-30-27(33)22-18-23(29)24(19-25(22)35-3)31-28(34)26(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6,8-9,12-13,18-19,21,26H,4-5,7,10-11,14-17H2,1-3H3,(H,30,33)(H,31,34) |
| InChIKey | XNYZRMAEMMVIKT-UHFFFAOYSA-N |
| Molecular Weight | 500.083 g/mol |
| SMILES | N(C(C1=CC(=C(C=C1OC)NC(C(C1CCCCC1)C=1C=CC=CC1)=O)Cl)=O)CCN(CC)CC |
| Spectrum/Structure Validation Score (Raman) | 0.991102 |