| SpectraBase Compound ID | Di6fxjfYa61 |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-16(2,3)12-20-15(18)10-9-14(17)19-11-13-7-5-4-6-8-13/h13H,4-12H2,1-3H3 |
| InChIKey | RZYMETSMKGCZQR-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 | L6Nf13JLlb5 |
|---|---|
| Name | Succinic acid, cyclohexylmethyl neopentyl 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/c1-16(2,3)12-20-15(18)10-9-14(17)19-11-13-7-5-4-6-8-13/h13H,4-12H2,1-3H3 |
| InChIKey | RZYMETSMKGCZQR-UHFFFAOYSA-N |
| SMILES | C(CC(OCC1CCCCC1)=O)C(OCC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.868325 |