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3-(Hepta-1,3-dienyl)hexanedioic acid, dimethyl ester

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3-(Hepta-1,3-dienyl)hexanedioic acid, dimethyl ester
SpectraBase Compound ID HmuNKbeoy8Q
InChI InChI=1S/C15H24O4/c1-4-5-6-7-8-9-13(12-15(17)19-3)10-11-14(16)18-2/h6-9,13H,4-5,10-12H2,1-3H3/b7-6+,9-8+
InChIKey NXLYOSANSJKWPA-BLHCBFLLSA-N
Mol Weight 268.35 g/mol
Molecular Formula C15H24O4
Exact Mass 268.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8tkc008De93
Name 3-(Hepta-1,3-dienyl)hexanedioic acid, dimethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.167459249 u
Formula C15H24O4
InChI InChI=1S/C15H24O4/c1-4-5-6-7-8-9-13(12-15(17)19-3)10-11-14(16)18-2/h6-9,13H,4-5,10-12H2,1-3H3/b7-6+,9-8+
InChIKey NXLYOSANSJKWPA-BLHCBFLLSA-N
Molecular Weight 268.353 g/mol
SMILES CCC\C=C\C=C\C(CCC(OC)=O)CC(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.983019