SpectraBase Spectrum ID |
1jmKQURKdnv |
Name |
(3as,6R,6ar)-6,6A-Dimethyl-2,3,3A,6-tetrahydropentalen-1-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
150.104465070 u |
Formula |
C10H14O |
InChI |
InChI=1S/C10H14O/c1-7-3-4-8-5-6-9(11)10(7,8)2/h3-4,7-8H,5-6H2,1-2H3/t7-,8-,10-/m1/s1 |
InChIKey |
YNKNHOFLLRTKQG-NQMVMOMDSA-N |
Molecular Weight |
150.221 g/mol |
SMILES |
[C@@]12(C(CC[C@]1(C=C[C@]2(C)[H])[H])=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960201 |