| SpectraBase Spectrum ID |
GCyq50VqAH1 |
| Name |
8-Methyl-6-nonenoic acid, imide, N-(4-hydroxy-3-methoxyphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
457.319208865 u |
| Formula |
C28H43NO4 |
| InChI |
InChI=1S/C28H43NO4/c1-22(2)14-10-6-8-12-16-27(31)29(21-24-18-19-25(30)26(20-24)33-5)28(32)17-13-9-7-11-15-23(3)4/h10-11,14-15,18-20,22-23,30H,6-9,12-13,16-17,21H2,1-5H3/b14-10+,15-11+ |
| InChIKey |
KQCUHOYAKSYRGB-WFYKWJGLSA-N |
| Molecular Weight |
457.655 g/mol |
| SMILES |
C1=C(C=C(C(=C1)O)OC)CN(C(CCCC\C=C\C(C)C)=O)C(=O)CCCC\C=C\C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829628 |
