| SpectraBase Spectrum ID |
IVpOQ5IhP59 |
| Name |
Cyclohexanecarboxylic acid, 3,5-dimethyl-2,4-dioxo-, methyl ester, (1.alpha.,3.alpha.,5.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
198.089208927 u |
| Formula |
C10H14O4 |
| InChI |
InChI=1S/C10H14O4/c1-5-4-7(10(13)14-3)9(12)6(2)8(5)11/h5-7H,4H2,1-3H3/t5-,6-,7+/m1/s1 |
| InChIKey |
XHHVSHKXLVMTNG-QYNIQEEDSA-N |
| Molecular Weight |
198.218 g/mol |
| SMILES |
[C@@]1(C([C@](C)(C([C@@](C1)(C)[H])=O)[H])=O)(C(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898005 |
