SpectraBase Compound ID | 5RE9Br8OH47 |
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InChI | InChI=1S/C15H28O4/c1-3-5-7-8-9-13-19-15(17)11-10-14(16)18-12-6-4-2/h3-13H2,1-2H3 |
InChIKey | PMUGTBMIZGQHPF-UHFFFAOYSA-N |
Mol Weight | 272.38 g/mol |
Molecular Formula | C15H28O4 |
Exact Mass | 272.198759 g/mol |
SpectraBase Spectrum ID | IEyWIhc0RAc |
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Name | Succinic acid, butyl heptyl 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/c1-3-5-7-8-9-13-19-15(17)11-10-14(16)18-12-6-4-2/h3-13H2,1-2H3 |
InChIKey | PMUGTBMIZGQHPF-UHFFFAOYSA-N |
SMILES | C(OCCCC)(=O)CCC(OCCCCCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916634 |