| SpectraBase Spectrum ID |
ADRpib85IyJ |
| Name |
(1S,4R,5R,8S)-1,2,3,4,5,6,7,8-Octahydro-1:4,5:8-dimethanoanthracen-9-carboxaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.135765199 u |
| Formula |
C17H18O |
| InChI |
InChI=1S/C17H18O/c18-8-15-16-11-3-1-9(5-11)13(16)7-14-10-2-4-12(6-10)17(14)15/h7-12H,1-6H2/t9-,10-,11+,12+/m1/s1 |
| InChIKey |
UHLGGAOKVIIWFL-WYUUTHIRSA-N |
| Molecular Weight |
238.330 g/mol |
| SMILES |
C12=C(C(C=O)=C3C(=C2)[C@]2(C[C@@]3(CC2)[H])[H])[C@@]2(C[C@]1(CC2)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907968 |
