| SpectraBase Spectrum ID |
ACvbDV1iNES |
| Name |
Benzamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-2,5-dihydroxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
441.287908736 u |
| Formula |
C27H39NO4 |
| InChI |
InChI=1S/C27H39NO4/c1-7-26(3,4)19-11-14-24(22(17-19)27(5,6)8-2)32-16-10-9-15-28-25(31)21-18-20(29)12-13-23(21)30/h11-14,17-18,29-30H,7-10,15-16H2,1-6H3,(H,28,31) |
| InChIKey |
XZAIMOSTHYCYBW-UHFFFAOYSA-N |
| Molecular Weight |
441.612 g/mol |
| SMILES |
CCC(C)(C)C1=CC=C(OCCCCNC(=O)C2=CC(O)=CC=C2O)C(=C1)C(C)(C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949316 |
![Benzamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-2,5-dihydroxy-](/api/spectrum/ACvbDV1iNES/structure.png?h=300&w=458 "Benzamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-2,5-dihydroxy-")
