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2-Buten-1-ol, 4-[3-(3-hydroxy-1-butynyl)-2,2,4-trimethyl-3-cyclohexen-1-yl]-2-methyl-
SpectraBase Compound ID 4XuJVom6SBD
InChI InChI=1S/C18H28O2/c1-13(12-19)6-9-16-10-7-14(2)17(18(16,4)5)11-8-15(3)20/h6,15-16,19-20H,7,9-10,12H2,1-5H3/b13-6+
InChIKey KWEDWGOTSFTMOF-AWNIVKPZSA-N
Mol Weight 276.42 g/mol
Molecular Formula C18H28O2
Exact Mass 276.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6YdCGrqp3EK
Name 2-Buten-1-ol, 4-[3-(3-hydroxy-1-butynyl)-2,2,4-trimethyl-3-cyclohexen-1-yl]-2-methyl-
CAS Registry Number 108361-35-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O2
InChI InChI=1S/C18H28O2/c1-13(12-19)6-9-16-10-7-14(2)17(18(16,4)5)11-8-15(3)20/h6,15-16,19-20H,7,9-10,12H2,1-5H3/b13-6+
InChIKey KWEDWGOTSFTMOF-AWNIVKPZSA-N
Molecular Weight 276.420 g/mol
SMILES OC(C#CC=1C(C(C\C=C\(CO)C)CCC1C)(C)C)C
SPLASH splash10-0006-9800000000-06c9280c896c0ed9dc1c
Source of Spectrum H-69-656-0
Synonyms (2E)-4-[3-(3-hydroxy-1-butynyl)-2,2,4-trimethyl-3-cyclohexen-1-yl]-2-methyl-2-buten-1-ol 4-[(1'R)-3'-(3''-hydroxy-1''-butynyl)-2',2',4'-trimethyl-3'-cyclohexenyl]-2-methyl-2-buten-1-ol
Wiley ID 1280492