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2-Buten-1-ol, 4-[3-(3-hydroxy-1-butenyl)-2,2,4-trimethyl-3-cyclohexen-1-yl]-2-methyl-
SpectraBase Compound ID IF591OVvqHm
InChI InChI=1S/C18H30O2/c1-13(12-19)6-9-16-10-7-14(2)17(18(16,4)5)11-8-15(3)20/h6,8,11,15-16,19-20H,7,9-10,12H2,1-5H3/b11-8+,13-6+
InChIKey SWNLYPQDTZYHMC-ABHUBJDASA-N
Mol Weight 278.44 g/mol
Molecular Formula C18H30O2
Exact Mass 278.22458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7TDNycFMogZ
Name 2-Buten-1-ol, 4-[3-(3-hydroxy-1-butenyl)-2,2,4-trimethyl-3-cyclohexen-1-yl]-2-methyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.224580204 u
Formula C18H30O2
InChI InChI=1S/C18H30O2/c1-13(12-19)6-9-16-10-7-14(2)17(18(16,4)5)11-8-15(3)20/h6,8,11,15-16,19-20H,7,9-10,12H2,1-5H3/b11-8+,13-6+
InChIKey SWNLYPQDTZYHMC-ABHUBJDASA-N
SMILES C=1(C(C(C\C=C\(CO)C)CCC1C)(C)C)\C=C\C(O)C