| SpectraBase Spectrum ID |
EuERNk1XRpw |
| Name |
1H-Cyclopenta[A]pentalene-3-carboxaldehyde, decahydro-3,4,7A-trimethyl-1,5-dioxo-, [3R-(3.alpha.,3A.alpha.,3B.beta.,6A.beta.,7A.alpha.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.141244501 u |
| Formula |
C15H20O3 |
| InChI |
InChI=1S/C15H20O3/c1-8-10(17)4-9-5-15(3)11(18)6-14(2,7-16)13(15)12(8)9/h7-9,12-13H,4-6H2,1-3H3/t8?,9-,12-,13-,14-,15+/m0/s1 |
| InChIKey |
JYFVIMRSOVLVLL-YYANTMIESA-N |
| Molecular Weight |
248.322 g/mol |
| SMILES |
[C@@]12([C@@]([C@]3(C(C)C(C[C@]3(C2)[H])=O)[H])([C@@](C=O)(C)CC1=O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.802002 |
![1H-Cyclopenta[a]pentalene-3-carboxaldehyde, decahydro-3,4,7a-trimethyl-1,5-dioxo-, [3R-(3.alpha.,3a.alpha.,3b.beta.,6a.beta.,7a.alpha.)]-](/api/spectrum/EuERNk1XRpw/structure.png?h=300&w=458 "1H-Cyclopenta[a]pentalene-3-carboxaldehyde, decahydro-3,4,7a-trimethyl-1,5-dioxo-, [3R-(3.alpha.,3a.alpha.,3b.beta.,6a.beta.,7a.alpha.)]-")
