SpectraBase Spectrum ID |
CGEc5JYOtNF |
Name |
(2R,3R,6R,7S,9R,10S)-6,7:9,10-Diepoxy-2,3-diphenyl-1,4-dioxaspiro[4.5]decan-8-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
336.099773610 u |
Formula |
C20H16O5 |
InChI |
InChI=1S/C20H16O5/c21-13-16-18(22-16)20(19-17(13)23-19)24-14(11-7-3-1-4-8-11)15(25-20)12-9-5-2-6-10-12/h1-10,14-19H/t14-,15?,16-,17+,18-,19+,20+/m1/s1 |
InChIKey |
YNORTJJYGMDSRX-XMXBIACMSA-N |
Molecular Weight |
336.343 g/mol |
SMILES |
[C@]12([C@@]3([C@@](O3)(C([C@@]3([C@]1(O3)[H])[H])=O)[H])[H])O[C@](C=1C=CC=CC1)(C(O2)C1=CC=CC=C1)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91795 |