| SpectraBase Spectrum ID |
DDiCk6PoX0n |
| Name |
Diethylmalonic acid, monochloride, 5-methylhex-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.149222362 u |
| Formula |
C14H25ClO3 |
| InChI |
InChI=1S/C14H25ClO3/c1-6-14(7-2,12(15)16)13(17)18-11(5)9-8-10(3)4/h10-11H,6-9H2,1-5H3 |
| InChIKey |
IVXYRARUUZBLTM-UHFFFAOYSA-N |
| SMILES |
CC(CCC(OC(=O)C(CC)(C(Cl)=O)CC)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920986 |
