| SpectraBase Spectrum ID |
LCe6YgaQQXQ |
| Name |
Benzeneacetic acid, .alpha.-phenyl-, 3,3-dimethyl-1-butynyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.146329882 u |
| Formula |
C20H20O2 |
| InChI |
InChI=1S/C20H20O2/c1-20(2,3)14-15-22-19(21)18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,1-3H3 |
| InChIKey |
HJMFRTLALKMSEJ-UHFFFAOYSA-N |
| Molecular Weight |
292.378 g/mol |
| SMILES |
C(#CC(C)(C)C)OC(C(C=1C=CC=CC1)C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94718 |
