| SpectraBase Spectrum ID |
3GNAKFJrf03 |
| Name |
3-Ethoxy-4A,6,6-trimethyl-(hexahydro)cyclopenta[B]pyran-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.156894565 u |
| Formula |
C13H22O3 |
| InChI |
InChI=1S/C13H22O3/c1-5-15-9-6-11(14)16-10-7-12(2,3)8-13(9,10)4/h9-10H,5-8H2,1-4H3/t9-,10-,13-/m1/s1 |
| InChIKey |
QLASILNSPLEPSA-GIPNMCIBSA-N |
| Molecular Weight |
226.316 g/mol |
| SMILES |
[C@]12([C@](OC(C[C@]2(OCC)[H])=O)(CC(C1)(C)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822761 |
![3-Ethoxy-4a,6,6-trimethyl-(hexahydro)cyclopenta[b]pyran-2-one](/api/spectrum/3GNAKFJrf03/structure.png?h=300&w=458 "3-Ethoxy-4a,6,6-trimethyl-(hexahydro)cyclopenta[b]pyran-2-one")
