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Glutaric acid, isobutyl 2-methyloct-5-yn-4-yl ester

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Glutaric acid, isobutyl 2-methyloct-5-yn-4-yl ester
SpectraBase Compound ID FpzrH7Z7ThA
InChI InChI=1S/C18H30O4/c1-6-7-9-16(12-14(2)3)22-18(20)11-8-10-17(19)21-13-15(4)5/h14-16H,6,8,10-13H2,1-5H3
InChIKey ZFZJTOQAFMZTTM-UHFFFAOYSA-N
Mol Weight 310.43 g/mol
Molecular Formula C18H30O4
Exact Mass 310.214409 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Bla3LL2WCt4
Name Glutaric acid, isobutyl 2-methyloct-5-yn-4-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.214409442 u
Formula C18H30O4
InChI InChI=1S/C18H30O4/c1-6-7-9-16(12-14(2)3)22-18(20)11-8-10-17(19)21-13-15(4)5/h14-16H,6,8,10-13H2,1-5H3
InChIKey ZFZJTOQAFMZTTM-UHFFFAOYSA-N
SMILES CC(CC(OC(CCCC(OCC(C)C)=O)=O)C#CCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.87262