SpectraBase Compound ID | 9uQzV3hFNER |
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InChI | InChI=1S/C18H34O4/c1-6-8-10-15(7-2)13-21-16(19)11-9-12-17(20)22-14-18(3,4)5/h15H,6-14H2,1-5H3 |
InChIKey | NPRGEYSLJVYPPJ-UHFFFAOYSA-N |
Mol Weight | 314.5 g/mol |
Molecular Formula | C18H34O4 |
Exact Mass | 314.24571 g/mol |
SpectraBase Spectrum ID | Dat1HHVUXeu |
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Name | Glutaric acid, 2-ethylhexyl neopentyl ester |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 314.245709571 u |
Formula | C18H34O4 |
InChI | InChI=1S/C18H34O4/c1-6-8-10-15(7-2)13-21-16(19)11-9-12-17(20)22-14-18(3,4)5/h15H,6-14H2,1-5H3 |
InChIKey | NPRGEYSLJVYPPJ-UHFFFAOYSA-N |
SMILES | C(CCC(OCC(CC)CCCC)=O)C(OCC(C)(C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963853 |