SpectraBase Spectrum ID |
7bfUHuymOZH |
Name |
Succinic acid, 6-methylhept-2-yl 2-methylhex-3-yl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
328.261359635 u |
Formula |
C19H36O4 |
InChI |
InChI=1S/C19H36O4/c1-7-9-17(15(4)5)23-19(21)13-12-18(20)22-16(6)11-8-10-14(2)3/h14-17H,7-13H2,1-6H3 |
InChIKey |
ZZVQMNHJGCGEGZ-UHFFFAOYSA-N |
Molecular Weight |
328.493 g/mol |
SMILES |
C(CCC(OC(CCCC(C)C)C)=O)(OC(CCC)C(C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833285 |