SpectraBase Compound ID | HcZkDIvkIm0 |
---|---|
InChI | InChI=1S/C17H32O4/c1-5-6-7-10-15(4)21-17(19)12-9-8-11-16(18)20-13-14(2)3/h14-15H,5-13H2,1-4H3 |
InChIKey | IAIDFEVPNJBYQM-UHFFFAOYSA-N |
Mol Weight | 300.4 g/mol |
Molecular Formula | C17H32O4 |
Exact Mass | 300.23006 g/mol |
SpectraBase Spectrum ID | 3jBUwETc65U |
---|---|
Name | Adipic acid, 2-heptyl isobutyl 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/c1-5-6-7-10-15(4)21-17(19)12-9-8-11-16(18)20-13-14(2)3/h14-15H,5-13H2,1-4H3 |
InChIKey | IAIDFEVPNJBYQM-UHFFFAOYSA-N |
SMILES | C(C(OC(C)CCCCC)=O)CCCC(OCC(C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.839029 |