| SpectraBase Spectrum ID |
8f1Ag59EoDd |
| Name |
Carbonic acid, 3,4-dimethylphenyl neopentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.141244501 u |
| Formula |
C14H20O3 |
| InChI |
InChI=1S/C14H20O3/c1-10-6-7-12(8-11(10)2)17-13(15)16-9-14(3,4)5/h6-8H,9H2,1-5H3 |
| InChIKey |
XGCBTPVQJVDOID-UHFFFAOYSA-N |
| Molecular Weight |
236.311 g/mol |
| SMILES |
CC1=CC=C(OC(OCC(C)(C)C)=O)C=C1C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951729 |
