SpectraBase Compound ID | 7Vlv4Ql3lTw |
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InChI | InChI=1S/C15H28O4/c1-4-6-7-8-12-18-14(16)10-11-15(17)19-13(3)9-5-2/h13H,4-12H2,1-3H3 |
InChIKey | MFGMOUKNQTUBOU-UHFFFAOYSA-N |
Mol Weight | 272.38 g/mol |
Molecular Formula | C15H28O4 |
Exact Mass | 272.198759 g/mol |
SpectraBase Spectrum ID | JKuPpDTp64C |
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Name | Succinic acid, hexyl 2-pentyl ester |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 272.198759378 u |
Formula | C15H28O4 |
InChI | InChI=1S/C15H28O4/c1-4-6-7-8-12-18-14(16)10-11-15(17)19-13(3)9-5-2/h13H,4-12H2,1-3H3 |
InChIKey | MFGMOUKNQTUBOU-UHFFFAOYSA-N |
SMILES | CCCCCCOC(CCC(OC(C)CCC)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.866343 |