| SpectraBase Spectrum ID |
EXAI0AkFqaT |
| Name |
2-[(5R,6R,7R,8S)-9-oxo-6-Vinyl-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulen-7-yl]acetaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.094294308 u |
| Formula |
C15H14O3 |
| InChI |
InChI=1S/C15H14O3/c1-2-9-12(7-8-16)15-13(17)10-5-3-4-6-11(10)14(9)18-15/h2-6,8-9,12,14-15H,1,7H2/t9-,12-,14+,15-/m1/s1 |
| InChIKey |
HEXQTKRAARBRSM-QBXIECCESA-N |
| Molecular Weight |
242.274 g/mol |
| SMILES |
[C@@]1([C@]([C@]2(O[C@@]1(C1=CC=CC=C1C2=O)[H])[H])(CC=O)[H])(C=C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841306 |
![2-[(5R,6R,7R,8S)-9-oxo-6-vinyl-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulen-7-yl]acetaldehyde](/api/spectrum/EXAI0AkFqaT/structure.png?h=300&w=458 "2-[(5R,6R,7R,8S)-9-oxo-6-vinyl-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulen-7-yl]acetaldehyde")
