| SpectraBase Spectrum ID |
86kvhxeqkJ3 |
| Name |
(2S,6R,11S)-2-(3-(Benzyloxy)propyl)-11-methyl-1,7-dioxaspiro-[5.5]undecan-4-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.198759378 u |
| Formula |
C20H28O4 |
| InChI |
InChI=1S/C20H28O4/c1-16-7-5-12-23-20(16)14-18(21)13-19(24-20)10-6-11-22-15-17-8-3-2-4-9-17/h2-4,8-9,16,19H,5-7,10-15H2,1H3/t16-,19-,20+/m0/s1 |
| InChIKey |
HCOBQFQKHKELNC-FFZOFVMBSA-N |
| Molecular Weight |
332.440 g/mol |
| SMILES |
[C@]12(OCCC[C@@]2(C)[H])CC(=O)C[C@](CCCOCC2=CC=CC=C2)(O1)[H] |
![(2S,6R,11S)-2-(3-(Benzyloxy)propyl)-11-methyl-1,7-dioxaspiro-[5.5]undecan-4-one](/api/spectrum/86kvhxeqkJ3/structure.png?h=300&w=458 "(2S,6R,11S)-2-(3-(Benzyloxy)propyl)-11-methyl-1,7-dioxaspiro-[5.5]undecan-4-one")
