SpectraBase Compound ID | 9it9BEedT6V |
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InChI | InChI=1S/C15H28O5/c1-4-6-7-13(10-11-18-3)12-20-15(17)9-8-14(16)19-5-2/h13H,4-12H2,1-3H3 |
InChIKey | MJWDPZLGKXOQOX-UHFFFAOYSA-N |
Mol Weight | 288.38 g/mol |
Molecular Formula | C15H28O5 |
Exact Mass | 288.193674 g/mol |
SpectraBase Spectrum ID | 3kVNhP5qA9C |
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Name | Succinic acid, ethyl 2-(2-methoxyethyl)hexyl ester |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 288.193673997 u |
Formula | C15H28O5 |
InChI | InChI=1S/C15H28O5/c1-4-6-7-13(10-11-18-3)12-20-15(17)9-8-14(16)19-5-2/h13H,4-12H2,1-3H3 |
InChIKey | MJWDPZLGKXOQOX-UHFFFAOYSA-N |
SMILES | COCCC(COC(CCC(OCC)=O)=O)CCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.823458 |