| SpectraBase Spectrum ID |
1qbps1ovTZX |
| Name |
1-((1R,2R,4R)-Bicyclo[2.2.2]oct-5-en-2-yl)methanal |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H12O |
| InChI |
InChI=1S/C9H12O/c10-6-9-5-7-1-3-8(9)4-2-7/h1,3,6-9H,2,4-5H2/t7-,8-,9+/m1/s1 |
| InChIKey |
KCHFYKPIADOPBJ-HLTSFMKQSA-N |
| Instrument Name |
LRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cctc.202100342 |
| Molecular Weight |
136.194 g/mol |
| SMILES |
C=1[C@@]2(CC[C@@](C1)([C@@](C2)(C=O)[H])[H])[H] |
| SPLASH |
splash10-004i-9200000000-dda211a622ff3e7ad1f7 |
| Sample Comments |
endo:exo (>50:1) |
| Source of Spectrum |
CCC-13-SM13-3ab |
| Wiley ID |
1854263 |
![1-((1R,2R,4R)-Bicyclo[2.2.2]oct-5-en-2-yl)methanal](/api/spectrum/1qbps1ovTZX/structure.png?h=300&w=458 "1-((1R,2R,4R)-Bicyclo[2.2.2]oct-5-en-2-yl)methanal")
