| SpectraBase Spectrum ID |
GXQQw2eLk6U |
| Name |
Diethylmalonic acid, ethyl 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 |
302.209324061 u |
| Formula |
C16H30O5 |
| InChI |
InChI=1S/C16H30O5/c1-8-16(9-2,13(17)19-10-3)14(18)21-12(4)11-20-15(5,6)7/h12H,8-11H2,1-7H3 |
| InChIKey |
TWOPSTSLOZAQRH-UHFFFAOYSA-N |
| SMILES |
C(C(C(OCC)=O)(C(OC(C)COC(C)(C)C)=O)CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.986406 |
