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Adipic acid, 2-methyloct-5-yn-4-yl propyl ester
SpectraBase Compound ID 7JbaEVt5GGj
InChI InChI=1S/C18H30O4/c1-5-7-10-16(14-15(3)4)22-18(20)12-9-8-11-17(19)21-13-6-2/h15-16H,5-6,8-9,11-14H2,1-4H3
InChIKey UDCDCZWLFNNRBA-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 57jj7GSzYu5
Name Adipic acid, 2-methyloct-5-yn-4-yl propyl 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/c1-5-7-10-16(14-15(3)4)22-18(20)12-9-8-11-17(19)21-13-6-2/h15-16H,5-6,8-9,11-14H2,1-4H3
InChIKey UDCDCZWLFNNRBA-UHFFFAOYSA-N
SMILES CCCOC(CCCCC(=O)OC(C#CCC)CC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.863863