| SpectraBase Spectrum ID |
6F1JpUVy58F |
| Name |
2-((7S,8R,11S)-8-(1,3-Dioxolan-2-yl)-7,11-dimethylspiro(1,3-dioxolane-2,7'-bicyclo[4.4.0]decane)-7-yl)ethanal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.209324061 u |
| Formula |
C19H30O5 |
| InChI |
InChI=1S/C19H30O5/c1-17(8-9-20)14(16-21-10-11-22-16)5-7-18(2)15(17)4-3-6-19(18)23-12-13-24-19/h9,14-16H,3-8,10-13H2,1-2H3/t14-,15+,17?,18+/m0/s1 |
| InChIKey |
XARMRUWHQSQFNR-WYJPGFMXSA-N |
| Molecular Weight |
338.444 g/mol |
| SMILES |
[C@]12([C@@](C(CC=O)(C)[C@@](CC2)(C2OCCO2)[H])(CCCC11OCCO1)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931157 |
![2-((7S,8R,11S)-8-(1,3-Dioxolan-2-yl)-7,11-dimethylspiro(1,3-dioxolane-2,7'-bicyclo[4.4.0]decane)-7-yl)ethanal](/api/spectrum/6F1JpUVy58F/structure.png?h=300&w=458 "2-((7S,8R,11S)-8-(1,3-Dioxolan-2-yl)-7,11-dimethylspiro(1,3-dioxolane-2,7'-bicyclo[4.4.0]decane)-7-yl)ethanal")
