| SpectraBase Spectrum ID |
4rsJAKy7ZOG |
| Name |
6-[(E)-3'-Formylbut-2'-enyl]-7-methoxycoumarin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.089208927 u |
| Formula |
C15H14O4 |
| InChI |
InChI=1S/C15H14O4/c1-10(9-16)3-4-11-7-12-5-6-15(17)19-14(12)8-13(11)18-2/h3,5-9H,4H2,1-2H3/b10-3+ |
| InChIKey |
BNUSPVBWVCNJJA-XCVCLJGOSA-N |
| Molecular Weight |
258.273 g/mol |
| SMILES |
C1=2OC(=O)C=CC2C=C(C\C=C\(C=O)C)C(=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961378 |
![6-[(E)-3'-Formylbut-2'-enyl]-7-methoxycoumarin](/api/spectrum/4rsJAKy7ZOG/structure.png?h=300&w=458 "6-[(E)-3'-Formylbut-2'-enyl]-7-methoxycoumarin")
