| SpectraBase Spectrum ID |
8QzyKWtGMmh |
| Name |
1-(4-Hydroxy-3-[(2Z)-4-hydroxy-3-methyl-2-butenyl]phenyl)ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.109944372 u |
| Formula |
C13H16O3 |
| InChI |
InChI=1S/C13H16O3/c1-9(8-14)3-4-12-7-11(10(2)15)5-6-13(12)16/h3,5-7,14,16H,4,8H2,1-2H3/b9-3+ |
| InChIKey |
VJMQHXVUFSIHDR-YCRREMRBSA-N |
| Molecular Weight |
220.268 g/mol |
| SMILES |
CC(=O)C1=CC(C\C=C/(C)CO)=C(O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886461 |
![1-(4-Hydroxy-3-[(2Z)-4-hydroxy-3-methyl-2-butenyl]phenyl)ethanone](/api/spectrum/8QzyKWtGMmh/structure.png?h=300&w=458 "1-(4-Hydroxy-3-[(2Z)-4-hydroxy-3-methyl-2-butenyl]phenyl)ethanone")
