| SpectraBase Spectrum ID |
2n3tHTZkOoU |
| Name |
(E)-1-(4-Hydroxy-3-methoxyphenyl)hexadec-3-en-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.266445016 u |
| Formula |
C23H36O3 |
| InChI |
InChI=1S/C23H36O3/c1-3-4-5-6-7-8-9-10-11-15-21(24)16-13-12-14-20-17-18-22(25)23(19-20)26-2/h13,16-19,25H,3-12,14-15H2,1-2H3/b16-13+ |
| InChIKey |
ZRRQCKQGNSJPPU-DTQAZKPQSA-N |
| Molecular Weight |
360.538 g/mol |
| SMILES |
C(C\C=C\C(CCCCCCCCCCC)=O)C1=CC(=C(C=C1)O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917879 |
