| SpectraBase Spectrum ID |
KLQGE3i80Nr |
| Name |
(2R,6R,10R)-2-((Benzyloxy)methyl)-10-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 |
320.162373868 u |
| Formula |
C18H24O5 |
| InChI |
InChI=1S/C18H24O5/c1-20-16-7-8-22-18(11-16)10-15(19)9-17(23-18)13-21-12-14-5-3-2-4-6-14/h2-6,16-17H,7-13H2,1H3/t16-,17-,18+/m1/s1 |
| InChIKey |
LYTXEODLSKJUTD-KURKYZTESA-N |
| Molecular Weight |
320.385 g/mol |
| SMILES |
[C@@]12(O[C@@](COCC3=CC=CC=C3)(CC(=O)C1)[H])OCC[C@](C2)(OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960713 |
![(2R,6R,10R)-2-((Benzyloxy)methyl)-10-methoxy-1,7-dioxaspiro[5.5]undecan-4-one](/api/spectrum/KLQGE3i80Nr/structure.png?h=300&w=458 "(2R,6R,10R)-2-((Benzyloxy)methyl)-10-methoxy-1,7-dioxaspiro[5.5]undecan-4-one")
