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(4R)-4-[4-(1-Hexyl-cyclobutyl)-2,6-dihydroxy-phenyl]-6,6-dimethyl-2-norpinanone

View entire compound with spectra: 1 MS (GC)

(4R)-4-[4-(1-Hexyl-cyclobutyl)-2,6-dihydroxy-phenyl]-6,6-dimethyl-2-norpinanone
SpectraBase Compound ID 962MiJa7jmp
InChI InChI=1S/C25H36O3/c1-4-5-6-7-9-25(10-8-11-25)16-12-21(27)23(22(28)13-16)17-14-20(26)19-15-18(17)24(19,2)3/h12-13,17-19,27-28H,4-11,14-15H2,1-3H3/t17-,18-,19+/m1/s1
InChIKey NNCANGDONPHIIG-QRVBRYPASA-N
Mol Weight 384.6 g/mol
Molecular Formula C25H36O3
Exact Mass 384.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5hZLv03dZpW
Name (4R)-4-[4-(1-Hexyl-cyclobutyl)-2,6-dihydroxy-phenyl]-6,6-dimethyl-2-norpinanone
Appearance White crystalline solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H36O3
InChI InChI=1S/C25H36O3/c1-4-5-6-7-9-25(10-8-11-25)16-12-21(27)23(22(28)13-16)17-14-20(26)19-15-18(17)24(19,2)3/h12-13,17-19,27-28H,4-11,14-15H2,1-3H3/t17-,18-,19+/m1/s1
InChIKey NNCANGDONPHIIG-QRVBRYPASA-N
Ionization Type EI
Literature Reference DOI 10.1021/jm100641g
Molecular Weight 384.560 g/mol
SMILES Oc1c(c(cc(c1)C1(CCCCCC)CCC1)O)[C@@]1(CC([C@@]2(C[C@]1(C2(C)C)[H])[H])=O)[H]
SPLASH splash10-001i-1119000000-3c55d72b568a0baabc89
Source of Spectrum AF-53-7003-5e
Wiley ID 1846299