| SpectraBase Spectrum ID |
IghEtHdabvQ |
| Name |
Ethyl 2,2,3-trimethyl-4-phenylbut-3(E)-enoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.146329882 u |
| Formula |
C15H20O2 |
| InChI |
InChI=1S/C15H20O2/c1-5-17-14(16)15(3,4)12(2)11-13-9-7-6-8-10-13/h6-11H,5H2,1-4H3/b12-11+ |
| InChIKey |
VQHCMBOWNKTXHZ-VAWYXSNFSA-N |
| Molecular Weight |
232.323 g/mol |
| SMILES |
C(\C(=C\C=1C=CC=CC1)C)(C(=O)OCC)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936273 |
