| SpectraBase Spectrum ID |
JmRmm0xDM6Z |
| Name |
6-(5-Benzyloxy-2-methoxy-phenyl)-4-methyl-hex-4-enal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.172544630 u |
| Formula |
C21H24O3 |
| InChI |
InChI=1S/C21H24O3/c1-17(7-6-14-22)10-11-19-15-20(12-13-21(19)23-2)24-16-18-8-4-3-5-9-18/h3-5,8-10,12-15H,6-7,11,16H2,1-2H3/b17-10+ |
| InChIKey |
VOAAXBORCTVOGK-LICLKQGHSA-N |
| Molecular Weight |
324.420 g/mol |
| SMILES |
C1=C(OC)C(C\C=C\(CCC=O)C)=CC(=C1)OCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908688 |
