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(S)-4-Methyl-(E)-.beta.-farnesene
SpectraBase Compound ID 84AddatYMD
InChI InChI=1S/C16H26/c1-7-15(5)16(6)12-11-14(4)10-8-9-13(2)3/h7,9,11,16H,1,5,8,10,12H2,2-4,6H3/b14-11+/t16-/m0/s1
InChIKey BCWKFQLFVFKJFU-UKYUDJEDSA-N
Mol Weight 218.38 g/mol
Molecular Formula C16H26
Exact Mass 218.203451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5U8aeaiJWsD
Name (S)-4-Methyl-(E)-.beta.-farnesene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26
InChI InChI=1S/C16H26/c1-7-15(5)16(6)12-11-14(4)10-8-9-13(2)3/h7,9,11,16H,1,5,8,10,12H2,2-4,6H3/b14-11+/t16-/m0/s1
InChIKey BCWKFQLFVFKJFU-UKYUDJEDSA-N
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/chem.201905827
Molecular Weight 218.384 g/mol
Optical Rotation [a]D20 = -6.0 (c = 0.1, CH2Cl2)
SMILES [C@@](C\C=C\(CCC=C(C)C)C)(C(=C)C=C)(C)[H]
SPLASH splash10-014l-9300000000-d0837450dcdc4d12cbe4
Source of Spectrum QE-26-SM67-17
Thin-Layer Chromatography Rf = 0.50 (Pentane)
Wiley ID 1858512