SpectraBase Compound ID | E8fgGEfcXsx |
---|---|
InChI | InChI=1S/C16H30O4/c1-4-6-8-9-13-19-15(17)11-12-16(18)20-14(3)10-7-5-2/h14H,4-13H2,1-3H3 |
InChIKey | UPFPRJUHAZRKPX-UHFFFAOYSA-N |
Mol Weight | 286.41 g/mol |
Molecular Formula | C16H30O4 |
Exact Mass | 286.214409 g/mol |
SpectraBase Spectrum ID | INB2wpZOo7r |
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Name | Succinic acid, hexyl 2-hexyl 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/c1-4-6-8-9-13-19-15(17)11-12-16(18)20-14(3)10-7-5-2/h14H,4-13H2,1-3H3 |
InChIKey | UPFPRJUHAZRKPX-UHFFFAOYSA-N |
SMILES | C(C(OC(C)CCCC)=O)CC(OCCCCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948443 |