| SpectraBase Spectrum ID |
I21gQcvoJP7 |
| Name |
T-Butyl 2-(3'-formylphenoxy)acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.104858991 u |
| Formula |
C13H16O4 |
| InChI |
InChI=1S/C13H16O4/c1-13(2,3)17-12(15)9-16-11-6-4-5-10(7-11)8-14/h4-8H,9H2,1-3H3 |
| InChIKey |
IOHGZBLANANFDS-UHFFFAOYSA-N |
| Molecular Weight |
236.267 g/mol |
| SMILES |
C(OC(C)(C)C)(=O)COC=1C=C(C=O)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807743 |
