| SpectraBase Spectrum ID |
6vIVvdWv4H7 |
| Name |
1-(4-Hydroxy-3-methoxyphenyl)tetradecan-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.250794952 u |
| Formula |
C21H34O3 |
| InChI |
InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-19(22)15-13-18-14-16-20(23)21(17-18)24-2/h14,16-17,23H,3-13,15H2,1-2H3 |
| InChIKey |
XNBUKRQGYHYOOP-UHFFFAOYSA-N |
| Molecular Weight |
334.500 g/mol |
| SMILES |
C(CC(CCCCCCCCCCC)=O)C1=CC(=C(C=C1)O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845768 |
