| SpectraBase Spectrum ID |
BxjVNSK4DBO |
| Name |
Diethylmalonic acid, butyl 3-methylpent-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.230059506 u |
| Formula |
C17H32O4 |
| InChI |
InChI=1S/C17H32O4/c1-7-11-12-20-15(18)17(9-3,10-4)16(19)21-14(6)13(5)8-2/h13-14H,7-12H2,1-6H3 |
| InChIKey |
NTGJCKHUOGTJLL-UHFFFAOYSA-N |
| SMILES |
CCC(C(OCCCC)=O)(C(OC(C(CC)C)C)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96329 |
