| SpectraBase Spectrum ID |
FaPaqdDf0do |
| Name |
4,4'-(Oxydi-p-phenylene)bis[2-methyl-3-butyn-2-ol] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.156894565 u |
| Formula |
C22H22O3 |
| InChI |
InChI=1S/C22H22O3/c1-21(2,23)15-13-17-5-9-19(10-6-17)25-20-11-7-18(8-12-20)14-16-22(3,4)24/h5-12,23-24H,1-4H3 |
| InChIKey |
MATKNDJVKAHRSK-UHFFFAOYSA-N |
| SMILES |
OC(C#CC1=CC=C(OC=2C=CC(C#CC(C)(C)O)=CC2)C=C1)(C)C |
| Spectrum/Structure Validation Score (Raman) |
0.970073 |
![4,4'-(Oxydi-p-phenylene)bis[2-methyl-3-butyn-2-ol]](/api/spectrum/FaPaqdDf0do/structure.png?h=300&w=458 "4,4'-(Oxydi-p-phenylene)bis[2-methyl-3-butyn-2-ol]")
