| SpectraBase Spectrum ID |
C4BoOHh7dmO |
| Name |
Ethyl (1R,4R,7R,9R,10S)-10-acetoxytetracyclo[5.4.1.0(4,12).0(9,12)]dodecane-1-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.167459249 u |
| Formula |
C17H24O4 |
| InChI |
InChI=1S/C17H24O4/c1-3-20-15(19)16-7-6-11-4-5-12-8-13(17(11,12)16)14(9-16)21-10(2)18/h11-14H,3-9H2,1-2H3/t11-,12-,13+,14+,16+,17?/m1/s1 |
| InChIKey |
XIOOJBJEYADRHP-VDTLFFBZSA-N |
| SMILES |
[C@@]12(C34[C@]([H])([C@](C2)(OC(=O)C)[H])C[C@]4(CC[C@]3([H])CC1)[H])C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847642 |
![Ethyl (1R,4R,7R,9R,10S)-10-acetoxytetracyclo[5.4.1.0(4,12).0(9,12)]dodecane-1-carboxylate](/api/spectrum/C4BoOHh7dmO/structure.png?h=300&w=458 "Ethyl (1R,4R,7R,9R,10S)-10-acetoxytetracyclo[5.4.1.0(4,12).0(9,12)]dodecane-1-carboxylate")
