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(2E)-3,7-Dimethylocta-2,6-dienyl 2-formylbenzoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

(2E)-3,7-Dimethylocta-2,6-dienyl 2-formylbenzoate
SpectraBase Compound ID 2yoqt32Uld
InChI InChI=1S/C18H22O3/c1-14(2)7-6-8-15(3)11-12-21-18(20)17-10-5-4-9-16(17)13-19/h4-5,7,9-11,13H,6,8,12H2,1-3H3/b15-11+
InChIKey QGRFNRICTDGXEQ-RVDMUPIBSA-N
Mol Weight 286.37 g/mol
Molecular Formula C18H22O3
Exact Mass 286.156895 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JmS3EPu64CS
Name (2E)-3,7-Dimethylocta-2,6-dienyl 2-formylbenzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.156894565 u
Formula C18H22O3
InChI InChI=1S/C18H22O3/c1-14(2)7-6-8-15(3)11-12-21-18(20)17-10-5-4-9-16(17)13-19/h4-5,7,9-11,13H,6,8,12H2,1-3H3/b15-11+
InChIKey QGRFNRICTDGXEQ-RVDMUPIBSA-N
SMILES C(C=1C(=CC=CC1)C=O)(=O)OC\C=C\(CCC=C(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918641