| SpectraBase Spectrum ID |
2xILkRPS7rq |
| Name |
(E)-1-(4-Hydroxy-3-methoxyphenyl)dodec-3-en-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.203844759 u |
| Formula |
C19H28O3 |
| InChI |
InChI=1S/C19H28O3/c1-3-4-5-6-7-11-17(20)12-9-8-10-16-13-14-18(21)19(15-16)22-2/h9,12-15,21H,3-8,10-11H2,1-2H3/b12-9+ |
| InChIKey |
ZZSJGFXDTNAIDC-FMIVXFBMSA-N |
| Molecular Weight |
304.430 g/mol |
| SMILES |
C(C\C=C\C(CCCCCCC)=O)C1=CC(=C(C=C1)O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949558 |
