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Ionyl angelate, methyl-.beta.-(E)-

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

Ionyl angelate, methyl-.beta.-(E)-
SpectraBase Compound ID 3X597F3VSjn
InChI InChI=1S/C19H30O2/c1-8-13(2)18(20)21-16(5)15(4)12-17-14(3)10-9-11-19(17,6)7/h8,12,16H,9-11H2,1-7H3/b13-8-,15-12+
InChIKey KPRKGDYBUQYSOZ-RRKOQZBASA-N
Mol Weight 290.45 g/mol
Molecular Formula C19H30O2
Exact Mass 290.22458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GqjdYuAkvrM
Name Ionyl angelate, methyl-.beta.-(E)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.224580204 u
Formula C19H30O2
InChI InChI=1S/C19H30O2/c1-8-13(2)18(20)21-16(5)15(4)12-17-14(3)10-9-11-19(17,6)7/h8,12,16H,9-11H2,1-7H3/b13-8-,15-12+
InChIKey KPRKGDYBUQYSOZ-RRKOQZBASA-N
SMILES C\C=C/(C(=O)OC(\C(C)=C\C=1C(CCCC1C)(C)C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.892542