| SpectraBase Spectrum ID |
9bp0Krpc7aq |
| Name |
2,5-Cyclohexadien-1-one, 3-hydroxy-2-methoxy-6-(methoxymethyl)-4,4-dimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
212.104858991 u |
| Formula |
C11H16O4 |
| InChI |
InChI=1S/C11H16O4/c1-11(2)5-7(6-14-3)8(12)9(15-4)10(11)13/h5,13H,6H2,1-4H3 |
| InChIKey |
JHAANZWHUZCLJA-UHFFFAOYSA-N |
| Molecular Weight |
212.245 g/mol |
| SMILES |
C1(=C(C(C)(C)C=C(C1=O)COC)O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945578 |
