| SpectraBase Spectrum ID |
JiaFPA7Kk5Y |
| Name |
2-[4-(1-Hydroxycyclopropyl)-3-keto-butyl]malonic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.110338294 u |
| Formula |
C12H18O6 |
| InChI |
InChI=1S/C12H18O6/c1-17-10(14)9(11(15)18-2)4-3-8(13)7-12(16)5-6-12/h9,16H,3-7H2,1-2H3 |
| InChIKey |
TYQRQTRFJGLWCL-UHFFFAOYSA-N |
| Molecular Weight |
258.270 g/mol |
| SMILES |
C1(CC1)(CC(CCC(C(=O)OC)C(=O)OC)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827444 |
![2-[4-(1-Hydroxycyclopropyl)-3-keto-butyl]malonic acid dimethyl ester](/api/spectrum/JiaFPA7Kk5Y/structure.png?h=300&w=458 "2-[4-(1-Hydroxycyclopropyl)-3-keto-butyl]malonic acid dimethyl ester")
