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2-Methyl-2-(4-methylpent-3-enyl)-5-pentyl-1-benzopyran-7-ol

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

2-Methyl-2-(4-methylpent-3-enyl)-5-pentyl-1-benzopyran-7-ol
SpectraBase Compound ID BqXQrXOSUIw
InChI InChI=1S/C21H30O2/c1-5-6-7-10-17-14-18(22)15-20-19(17)11-13-21(4,23-20)12-8-9-16(2)3/h9,11,13-15,22H,5-8,10,12H2,1-4H3
InChIKey XZKFXCQNHZRBJK-UHFFFAOYSA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CO0Im99ajSj
Name 2-Methyl-2-(4-methylpent-3-enyl)-5-pentyl-1-benzopyran-7-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.224580204 u
Formula C21H30O2
InChI InChI=1S/C21H30O2/c1-5-6-7-10-17-14-18(22)15-20-19(17)11-13-21(4,23-20)12-8-9-16(2)3/h9,11,13-15,22H,5-8,10,12H2,1-4H3
InChIKey XZKFXCQNHZRBJK-UHFFFAOYSA-N
Molecular Weight 314.469 g/mol
SMILES C=12C(C=CC(O2)(CCC=C(C)C)C)=C(CCCCC)C=C(C1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.811072