| SpectraBase Spectrum ID |
IYoCXYTUblw |
| Name |
4H-1-Benzopyran-4-one, 3,5,8-tris(acetyloxy)-2-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.068867403 u |
| Formula |
C16H14O8 |
| InChI |
InChI=1S/C16H14O8/c1-7-15(24-10(4)19)14(20)13-11(22-8(2)17)5-6-12(16(13)21-7)23-9(3)18/h5-6H,1-4H3 |
| InChIKey |
QZAFKAOMYPDXQE-UHFFFAOYSA-N |
| Molecular Weight |
334.280 g/mol |
| SMILES |
C1=2C(C(OC(=O)C)=C(OC2C(OC(=O)C)=CC=C1OC(=O)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981091 |
