| SpectraBase Spectrum ID |
FfiJGsUKnjY |
| Name |
2-(2,4,4-Trimethyl-6-oxo-1-cyclohexenyl)propanedioic acid diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.162373868 u |
| Formula |
C16H24O5 |
| InChI |
InChI=1S/C16H24O5/c1-6-20-14(18)13(15(19)21-7-2)12-10(3)8-16(4,5)9-11(12)17/h13H,6-9H2,1-5H3 |
| InChIKey |
MKEMNUQJYPUHFR-UHFFFAOYSA-N |
| SMILES |
C1(C(C(=O)OCC)C(=O)OCC)=C(CC(CC1=O)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980319 |
