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2-(1-Cyclohexa-2,4-dienyl)-2-(3-methylpenta-1,2-dienyl)propanedioic acid dimethyl ester

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

2-(1-Cyclohexa-2,4-dienyl)-2-(3-methylpenta-1,2-dienyl)propanedioic acid dimethyl ester
SpectraBase Compound ID 51nIFSIS3x6
InChI InChI=1S/C17H22O4/c1-5-13(2)11-12-17(15(18)20-3,16(19)21-4)14-9-7-6-8-10-14/h6-9,12,14H,5,10H2,1-4H3
InChIKey QJMMUURZBKPIDU-UHFFFAOYSA-N
Mol Weight 290.36 g/mol
Molecular Formula C17H22O4
Exact Mass 290.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HW5IYtyv565
Name 2-(1-Cyclohexa-2,4-dienyl)-2-(3-methylpenta-1,2-dienyl)propanedioic acid dimethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.151809184 u
Formula C17H22O4
InChI InChI=1S/C17H22O4/c1-5-13(2)11-12-17(15(18)20-3,16(19)21-4)14-9-7-6-8-10-14/h6-9,12,14H,5,10H2,1-4H3
InChIKey QJMMUURZBKPIDU-UHFFFAOYSA-N
SMILES C(C=C=C(CC)C)(C(=O)OC)(C(=O)OC)C1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.876442