| SpectraBase Spectrum ID |
EfE6RE1Rk8M |
| Name |
2-Benzoyl-3-tert-butoxycarbonyloxy-benzoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.141638422 u |
| Formula |
C21H22O6 |
| InChI |
InChI=1S/C21H22O6/c1-5-25-19(23)15-12-9-13-16(26-20(24)27-21(2,3)4)17(15)18(22)14-10-7-6-8-11-14/h6-13H,5H2,1-4H3 |
| InChIKey |
KZVIXLWJMKNKBJ-UHFFFAOYSA-N |
| Molecular Weight |
370.401 g/mol |
| SMILES |
C1=CC=C(C(C(=O)C2=CC=CC=C2)=C1OC(OC(C)(C)C)=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857544 |
