| SpectraBase Spectrum ID |
9CW5qfSNJCO |
| Name |
2-(2-Hydroxyphenyl)-N,N'-di-(cyclohexyl)-4H-1,3-benzodioxine-4,4-dicarboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
478.246772198 u |
| Formula |
C28H34N2O5 |
| InChI |
InChI=1S/C28H34N2O5/c31-23-17-9-7-15-21(23)25-34-24-18-10-8-16-22(24)28(35-25,26(32)29-19-11-3-1-4-12-19)27(33)30-20-13-5-2-6-14-20/h7-10,15-20,25,31H,1-6,11-14H2,(H,29,32)(H,30,33) |
| InChIKey |
ZWCJSILHGBHYEM-UHFFFAOYSA-N |
| Molecular Weight |
478.589 g/mol |
| SMILES |
C1(OC=2C(C(O1)(C(=O)NC1CCCCC1)C(=O)NC1CCCCC1)=CC=CC2)C=1C(=CC=CC1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906664 |
