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4-(2,3,5,5-Tetramethylhex-2-enyl)benzoic acid ethyl ester

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

4-(2,3,5,5-Tetramethylhex-2-enyl)benzoic acid ethyl ester
SpectraBase Compound ID 1UN784DBCKG
InChI InChI=1S/C19H28O2/c1-7-21-18(20)17-10-8-16(9-11-17)12-14(2)15(3)13-19(4,5)6/h8-11H,7,12-13H2,1-6H3/b15-14-
InChIKey HYRHKRCPRKZDKR-PFONDFGASA-N
Mol Weight 288.43 g/mol
Molecular Formula C19H28O2
Exact Mass 288.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HQokmiOO12a
Name 4-(2,3,5,5-Tetramethylhex-2-enyl)benzoic acid ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.208930140 u
Formula C19H28O2
InChI InChI=1S/C19H28O2/c1-7-21-18(20)17-10-8-16(9-11-17)12-14(2)15(3)13-19(4,5)6/h8-11H,7,12-13H2,1-6H3/b15-14-
InChIKey HYRHKRCPRKZDKR-PFONDFGASA-N
SMILES C(C=1C=CC(=CC1)C\C(=C/(CC(C)(C)C)C)C)(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.860587