| SpectraBase Compound ID | AXi33EN5Z8W |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-12(2)7-6-8-14(5)20-16(18)10-9-15(17)19-11-13(3)4/h12-14H,6-11H2,1-5H3 |
| InChIKey | MYOBARLGWZNANV-UHFFFAOYSA-N |
| Mol Weight | 286.41 g/mol |
| Molecular Formula | C16H30O4 |
| Exact Mass | 286.214409 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 97jreKP50wx |
|---|---|
| Name | Succinic acid, isobutyl 6-methylhept-2-yl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.214409442 u |
| Formula | C16H30O4 |
| InChI | InChI=1S/C16H30O4/c1-12(2)7-6-8-14(5)20-16(18)10-9-15(17)19-11-13(3)4/h12-14H,6-11H2,1-5H3 |
| InChIKey | MYOBARLGWZNANV-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(CCCC(C)C)C)=O)(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.990809 |