| SpectraBase Spectrum ID |
JeKIc1XRqC3 |
| Name |
1,4-bis-(3-Hydroxy-3-methylbut-1-ynyl)-benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.130679818 u |
| Formula |
C16H18O2 |
| InChI |
InChI=1S/C16H18O2/c1-15(2,17)11-9-13-5-7-14(8-6-13)10-12-16(3,4)18/h5-8,17-18H,1-4H3 |
| InChIKey |
FBRHVRDBMZNCTN-UHFFFAOYSA-N |
| Molecular Weight |
242.318 g/mol |
| SMILES |
C(O)(C)(C#CC1=CC=C(C=C1)C#CC(O)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809181 |
