| SpectraBase Spectrum ID |
5el8LWjBzJw |
| Name |
Phenylacetic acid, 3-methylbut-2-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
204.115029753 u |
| Formula |
C13H16O2 |
| InChI |
InChI=1S/C13H16O2/c1-11(2)8-9-15-13(14)10-12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3 |
| InChIKey |
AJONNXSYRQWSAE-UHFFFAOYSA-N |
| Molecular Weight |
204.269 g/mol |
| SMILES |
C(=O)(OCC=C(C)C)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943341 |
