| SpectraBase Spectrum ID |
CImTNK6ig6Q |
| Name |
Methyl 5,6,7,8,9,10,11,12,13,14-decahydro-2-oxo-2H-cyclododeca[B]pyran-3-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/c1-20-16(18)14-12-13-10-8-6-4-2-3-5-7-9-11-15(13)21-17(14)19/h12H,2-11H2,1H3 |
| InChIKey |
YCQDENBTJUVNRW-UHFFFAOYSA-N |
| SMILES |
C1CCCCCCCCCC2=C1OC(C(=C2)C(OC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844273 |
![Methyl 5,6,7,8,9,10,11,12,13,14-decahydro-2-oxo-2H-cyclododeca[b]pyran-3-carboxylate](/api/spectrum/CImTNK6ig6Q/structure.png?h=300&w=458 "Methyl 5,6,7,8,9,10,11,12,13,14-decahydro-2-oxo-2H-cyclododeca[b]pyran-3-carboxylate")
