| SpectraBase Spectrum ID |
EX9VgHO8jFn |
| Name |
Carbonic acid 7-tert-butoxycarbonyloxy-3-oxo-1-phenyl-1,3-dihydroisobenzofuran-5-yl ester tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.162767789 u |
| Formula |
C24H26O8 |
| InChI |
InChI=1S/C24H26O8/c1-23(2,3)31-21(26)28-15-12-16-18(17(13-15)29-22(27)32-24(4,5)6)19(30-20(16)25)14-10-8-7-9-11-14/h7-13,19H,1-6H3 |
| InChIKey |
FTEOBUMIVXSAEX-UHFFFAOYSA-N |
| Molecular Weight |
442.464 g/mol |
| SMILES |
C=1C(=C2C(OC(C2=CC1OC(=O)OC(C)(C)C)=O)C1=CC=CC=C1)OC(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843786 |
