| SpectraBase Compound ID | 9Y3f9zyspFw |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-5-6-7-8-14(4)20-16(18)10-9-15(17)19-12-11-13(2)3/h14H,2,5-12H2,1,3-4H3 |
| InChIKey | ZSHJRVQCYFPZCT-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 | 9U605nh6iA |
|---|---|
| Name | Succinic acid, hept-2-yl 3-methylbut-3-en-1-yl 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/c1-5-6-7-8-14(4)20-16(18)10-9-15(17)19-12-11-13(2)3/h14H,2,5-12H2,1,3-4H3 |
| InChIKey | ZSHJRVQCYFPZCT-UHFFFAOYSA-N |
| SMILES | C(CC(OC(C)CCCCC)=O)C(OCCC(C)=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.983166 |