| SpectraBase Spectrum ID |
4QrTiwlbZsg |
| Name |
(2S,6S,9S)-2-Ethyl-9-methoxy-1,7-dioxaspiro[5.5]undecan-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
228.136159120 u |
| Formula |
C12H20O4 |
| InChI |
InChI=1S/C12H20O4/c1-3-10-6-9(13)7-12(16-10)5-4-11(14-2)8-15-12/h10-11H,3-8H2,1-2H3/t10-,11-,12-/m0/s1 |
| InChIKey |
ITYXVGUJDMYESC-SRVKXCTJSA-N |
| Molecular Weight |
228.288 g/mol |
| SMILES |
[C@@]12(CC[C@@](CO2)(OC)[H])CC(C[C@@](O1)(CC)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.811546 |
![(2S,6S,9S)-2-Ethyl-9-methoxy-1,7-dioxaspiro[5.5]undecan-4-one](/api/spectrum/4QrTiwlbZsg/structure.png?h=300&w=458 "(2S,6S,9S)-2-Ethyl-9-methoxy-1,7-dioxaspiro[5.5]undecan-4-one")
