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Hydratropic acid, undec-2-en-1-yl ester

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Hydratropic acid, undec-2-en-1-yl ester
SpectraBase Compound ID IBzWyCqqbAb
InChI InChI=1S/C20H30O2/c1-3-4-5-6-7-8-9-10-14-17-22-20(21)18(2)19-15-12-11-13-16-19/h10-16,18H,3-9,17H2,1-2H3/b14-10+
InChIKey MGGBVIFSTADQDO-GXDHUFHOSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID c8I25jgEHq
Name Hydratropic acid, undec-2-en-1-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.224580204 u
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-3-4-5-6-7-8-9-10-14-17-22-20(21)18(2)19-15-12-11-13-16-19/h10-16,18H,3-9,17H2,1-2H3/b14-10+
InChIKey MGGBVIFSTADQDO-GXDHUFHOSA-N
SMILES C1=C(C=CC=C1)C(C(=O)OC\C=C\CCCCCCCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.892026