| SpectraBase Spectrum ID |
IMZzH0DFK83 |
| Name |
Diethylmalonic acid, propyl 1-tert-butyloxyprop-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.224974125 u |
| Formula |
C17H32O5 |
| InChI |
InChI=1S/C17H32O5/c1-8-11-20-14(18)17(9-2,10-3)15(19)22-13(4)12-21-16(5,6)7/h13H,8-12H2,1-7H3 |
| InChIKey |
KTTZEPZCXXYNEA-UHFFFAOYSA-N |
| Molecular Weight |
316.438 g/mol |
| SMILES |
CC(OCC(OC(C(C(OCCC)=O)(CC)CC)=O)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.987512 |
