| SpectraBase Spectrum ID |
1ljZwSh6F04 |
| Name |
Coumaran-3-one, 6-acetoxy-2-[4-methoxybenzylidene]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.084123546 u |
| Formula |
C18H14O5 |
| InChI |
InChI=1S/C18H14O5/c1-11(20)22-14-6-7-15-16(9-14)23-17(18(15)21)8-12-2-4-13(10-19)5-3-12/h2-9,19H,10H2,1H3/b17-8- |
| InChIKey |
OPMXISGTXJUFBH-IUXPMGMMSA-N |
| Molecular Weight |
310.305 g/mol |
| SMILES |
C12=C(C=C(C=C2)OC(C)=O)O\C(C1=O)=C\C=1C=CC(=CC1)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819497 |
![Coumaran-3-one, 6-acetoxy-2-[4-methoxybenzylidene]-](/api/spectrum/1ljZwSh6F04/structure.png?h=300&w=458 "Coumaran-3-one, 6-acetoxy-2-[4-methoxybenzylidene]-")
