SpectraBase Compound ID | EifuA6ZvjBM |
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InChI | InChI=1S/C15H26O5/c1-12(2)5-3-10-19-14(16)7-8-15(17)20-11-13-6-4-9-18-13/h12-13H,3-11H2,1-2H3 |
InChIKey | QUQBWWLCRZMNLC-UHFFFAOYSA-N |
Mol Weight | 286.37 g/mol |
Molecular Formula | C15H26O5 |
Exact Mass | 286.178024 g/mol |
SpectraBase Spectrum ID | 2ZzOskPxZUM |
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Name | Succinic acid, isohexyl tetrahydrofurfuryl ester |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 286.178023932 u |
Formula | C15H26O5 |
InChI | InChI=1S/C15H26O5/c1-12(2)5-3-10-19-14(16)7-8-15(17)20-11-13-6-4-9-18-13/h12-13H,3-11H2,1-2H3 |
InChIKey | QUQBWWLCRZMNLC-UHFFFAOYSA-N |
SMILES | C(CC(OCC1CCCO1)=O)C(OCCCC(C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961809 |