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p-Coumaric acid, 2-methylpropyl ether, 2-methylpropyl ester

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p-Coumaric acid, 2-methylpropyl ether, 2-methylpropyl ester
SpectraBase Compound ID I13taS2Nmh2
InChI InChI=1S/C17H24O3/c1-13(2)11-19-16-8-5-15(6-9-16)7-10-17(18)20-12-14(3)4/h5-10,13-14H,11-12H2,1-4H3/b10-7+
InChIKey CMRBGFDCOXGFBE-JXMROGBWSA-N
Mol Weight 276.38 g/mol
Molecular Formula C17H24O3
Exact Mass 276.172545 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CL63NKIeiGg
Name p-Coumaric acid, 2-methylpropyl ether, 2-methylpropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.172544630 u
Formula C17H24O3
InChI InChI=1S/C17H24O3/c1-13(2)11-19-16-8-5-15(6-9-16)7-10-17(18)20-12-14(3)4/h5-10,13-14H,11-12H2,1-4H3/b10-7+
InChIKey CMRBGFDCOXGFBE-JXMROGBWSA-N
SMILES C1=CC(=CC=C1\C=C\C(=O)OCC(C)C)OCC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952805