| SpectraBase Spectrum ID |
HETtE9WgBtE |
| Name |
1-Ethenyl-3-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methylene-2,3,3A,7A-tetrahydro-1H-inden-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.156894565 u |
| Formula |
C20H22O3 |
| InChI |
InChI=1S/C20H22O3/c1-4-14-11-15(20-16(21)7-5-12(2)19(14)20)9-13-6-8-18(23-3)17(22)10-13/h4-8,10,14-15,19-20,22H,1-2,9,11H2,3H3 |
| InChIKey |
ODHHTIYRUDURPW-UHFFFAOYSA-N |
| Molecular Weight |
310.393 g/mol |
| SMILES |
C12C(C(CC3=CC(O)=C(C=C3)OC)CC1C=C)C(=O)C=CC2=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848797 |
![1-Ethenyl-3-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methylene-2,3,3a,7a-tetrahydro-1H-inden-4-one](/api/spectrum/HETtE9WgBtE/structure.png?h=300&w=458 "1-Ethenyl-3-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methylene-2,3,3a,7a-tetrahydro-1H-inden-4-one")
