| SpectraBase Compound ID | 3MpkD0Igxli |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-5-19-15(17)9-10-16(18)20-12-11-14(4)8-6-7-13(2)3/h7,14H,5-6,8-12H2,1-4H3 |
| InChIKey | VKLLETSMEDKLDV-UHFFFAOYSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C16H28O4 |
| Exact Mass | 284.198759 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 878F3CBLgcF |
|---|---|
| Name | Succinic acid, 3,7-dimethyloct-6-en-1-yl ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.198759378 u |
| Formula | C16H28O4 |
| InChI | InChI=1S/C16H28O4/c1-5-19-15(17)9-10-16(18)20-12-11-14(4)8-6-7-13(2)3/h7,14H,5-6,8-12H2,1-4H3 |
| InChIKey | VKLLETSMEDKLDV-UHFFFAOYSA-N |
| SMILES | CC(C)=CCCC(C)CCOC(CCC(OCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97262 |