| SpectraBase Spectrum ID |
7EzwE8a25aM |
| Name |
alpha-Ethoxycarbonyl-alpha-ethylbenzyl benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.136159120 u |
| Formula |
C19H20O4 |
| InChI |
InChI=1S/C19H20O4/c1-3-19(18(21)22-4-2,16-13-9-6-10-14-16)23-17(20)15-11-7-5-8-12-15/h5-14H,3-4H2,1-2H3 |
| InChIKey |
DTDUFMIOMGIIDL-UHFFFAOYSA-N |
| Molecular Weight |
312.365 g/mol |
| SMILES |
C1=CC=CC(=C1)C(=O)OC(CC)(C1=CC=CC=C1)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.804627 |
