| SpectraBase Compound ID | ccYSwEKWNM |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-5-6-7-13-20-16(18)11-12-17(19)21-15(4)10-8-9-14(2)3/h14-15H,5-13H2,1-4H3 |
| InChIKey | ZMPQQMYUIFIXCA-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C17H32O4 |
| Exact Mass | 300.23006 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1tuKLwIGvOP |
|---|---|
| Name | Succinic acid, 6-methylhept-2-yl pentyl 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/c1-5-6-7-13-20-16(18)11-12-17(19)21-15(4)10-8-9-14(2)3/h14-15H,5-13H2,1-4H3 |
| InChIKey | ZMPQQMYUIFIXCA-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(CCCC(C)C)C)=O)(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976253 |