SpectraBase Compound ID | 7Mk5FfxuHey |
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InChI | InChI=1S/C16H30O5/c1-4-5-6-11-20-15(17)7-8-16(18)21-13-10-14(2)9-12-19-3/h14H,4-13H2,1-3H3 |
InChIKey | NHASWPLOAVEYFH-UHFFFAOYSA-N |
Mol Weight | 302.41 g/mol |
Molecular Formula | C16H30O5 |
Exact Mass | 302.209324 g/mol |
SpectraBase Spectrum ID | GQHeRObiPhL |
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Name | Succinic acid, 5-methoxy-3-methylphenyl pentyl ester |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 302.209324061 u |
Formula | C16H30O5 |
InChI | InChI=1S/C16H30O5/c1-4-5-6-11-20-15(17)7-8-16(18)21-13-10-14(2)9-12-19-3/h14H,4-13H2,1-3H3 |
InChIKey | NHASWPLOAVEYFH-UHFFFAOYSA-N |
SMILES | C(CC(OCCC(CCOC)C)=O)C(OCCCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924996 |