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4-(but-3-en-2-yl)-3-phenyl-1H-isochromene

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

4-(but-3-en-2-yl)-3-phenyl-1H-isochromene
SpectraBase Compound ID AQyQs3kr7pk
InChI InChI=1S/C19H18O/c1-3-14(2)18-17-12-8-7-11-16(17)13-20-19(18)15-9-5-4-6-10-15/h3-12,14H,1,13H2,2H3
InChIKey BCPIZSNSEDEZBH-UHFFFAOYSA-N
Mol Weight 262.35 g/mol
Molecular Formula C19H18O
Exact Mass 262.135765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5Jn1S2WS8RJ
Name 4-(but-3-en-2-yl)-3-Phenyl-1H-isochromene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.135765199 u
Formula C19H18O
InChI InChI=1S/C19H18O/c1-3-14(2)18-17-12-8-7-11-16(17)13-20-19(18)15-9-5-4-6-10-15/h3-12,14H,1,13H2,2H3
InChIKey BCPIZSNSEDEZBH-UHFFFAOYSA-N
Molecular Weight 262.352 g/mol
SMILES C=1(OCC=2C=CC=CC2C1C(C)C=C)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.807782