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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7EppKHObVTL
Name 2-methyl-2-(4-methylpent-3-en-1-yl)-5-pentyl-2H-chromen-7-ol
Carrier Gas Helium
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
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
Inlet Type Split
Instrument Name Shimadzu QP2010
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800064
Quality 116
SMILES OC1=CC(=C2C(=C1)OC(C=C2)(CCC=C(C)C)C)CCCCC
SPLASH splash10-001i-5190000000-ff99d0dabad331bdac30
Source of Spectrum K1-2018-SM24-ortho-3b (DOI: 10.1002/ejoc.201800064)
Wiley ID 1891573