| SpectraBase Spectrum ID |
GWeCzK504Uo |
| Name |
2H-1-Benzopyran-2-one, 3,3'-carbonylbis[7-(acetyloxy)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
434.063782022 u |
| Formula |
C23H14O9 |
| InChI |
InChI=1S/C23H14O9/c1-11(24)29-15-5-3-13-7-17(22(27)31-19(13)9-15)21(26)18-8-14-4-6-16(30-12(2)25)10-20(14)32-23(18)28/h3-10H,1-2H3 |
| InChIKey |
TYJKIEGXKNWFJY-UHFFFAOYSA-N |
| Molecular Weight |
434.356 g/mol |
| SMILES |
C1(=CC2=CC=C(C=C2OC1=O)OC(C)=O)C(C=1C(OC2=CC(OC(C)=O)=CC=C2C1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.985596 |
