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3-Buten-2-one, 4-[5-(4-hydroxy-3-methyl-2-butenyl)-2,6,6-trimethyl-1-cyclohexen-1-yl]-, [R-(E,E)]-
SpectraBase Compound ID KGF5AOVzhAG
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/h6,8,11,16,19H,7,9-10,12H2,1-5H3/b11-8+,13-6+/t16-/m0/s1
InChIKey SGSKTONSGUYRHY-SXUFMCQPSA-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 HRHuChW8UK8
Name 3-Buten-2-one, 4-[5-(4-hydroxy-3-methyl-2-butenyl)-2,6,6-trimethyl-1-cyclohexen-1-yl]-, [R-(E,E)]-
CAS Registry Number 108394-27-0
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/h6,8,11,16,19H,7,9-10,12H2,1-5H3/b11-8+,13-6+/t16-/m0/s1
InChIKey SGSKTONSGUYRHY-SXUFMCQPSA-N
Molecular Weight 276.420 g/mol
SMILES OC\C(=C\C[C@@]1(C(C(\C=C\C(=O)C)=C(CC1)C)(C)C)[H])C
SPLASH splash10-0006-9210000000-142a8ff2f1d83f0922c5
Source of Spectrum H-69-656-0
Synonyms (3E)-4-{(5R)-5-[(2E)-4-hydroxy-3-methyl-2-butenyl]-2,6,6-trimethyl-1-cyclohexen-1-yl}-3-buten-2-one 4-[(5'R)-5'-(4''-hydroxy-3''-methyl-2''-butenyl)-2',6',6'-trimethyl-1'-cyclohexenyl]-3-buten-2-one
Wiley ID 1280493