| SpectraBase Spectrum ID |
LXJhail1B5Z |
| Name |
(.+/-.)-2-phenylpropanoic acid, neopentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.146329882 u |
| Formula |
C14H20O2 |
| InChI |
InChI=1S/C14H20O2/c1-11(12-8-6-5-7-9-12)13(15)16-10-14(2,3)4/h5-9,11H,10H2,1-4H3 |
| InChIKey |
VATXBTGVMKOONH-UHFFFAOYSA-N |
| Molecular Weight |
220.312 g/mol |
| SMILES |
C(C(OCC(C)(C)C)=O)(C)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943384 |
