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3-Neryl-4-hydroxycoumarin

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

3-Neryl-4-hydroxycoumarin
SpectraBase Compound ID LGiHyHqlL7f
InChI InChI=1S/C19H22O3/c1-13(2)7-6-8-14(3)11-12-16-18(20)15-9-4-5-10-17(15)22-19(16)21/h4-5,7,9-11,20H,6,8,12H2,1-3H3/b14-11-
InChIKey QEPKIEXHEXMTEU-KAMYIIQDSA-N
Mol Weight 298.38 g/mol
Molecular Formula C19H22O3
Exact Mass 298.156895 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5cvuX7KIdvw
Name 3-Neryl-4-hydroxycoumarin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.156894565 u
Formula C19H22O3
InChI InChI=1S/C19H22O3/c1-13(2)7-6-8-14(3)11-12-16-18(20)15-9-4-5-10-17(15)22-19(16)21/h4-5,7,9-11,20H,6,8,12H2,1-3H3/b14-11-
InChIKey QEPKIEXHEXMTEU-KAMYIIQDSA-N
SMILES C1(=C(C=2C=CC=CC2OC1=O)O)C\C=C/(CCC=C(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913197