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Caryophyllene
SpectraBase Compound ID 2mzxBQnfhGL
InChI InChI=1S/C16H26/c1-12-6-5-7-13(2)14-10-11-16(3,4)15(14)9-8-12/h6,14-15H,2,5,7-11H2,1,3-4H3/t14-,15-/m1/s1
InChIKey OZHZJVVFPQYCNL-HUUCEWRRSA-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 FmPgf2a87xA
Name Caryophyllene
Carrier Gas Helium (1.0 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.203450837 u
Formula C16H26
GC Column Agilent DB-5 (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 250oC
InChI InChI=1S/C16H26/c1-12-6-5-7-13(2)14-10-11-16(3,4)15(14)9-8-12/h6,14-15H,2,5,7-11H2,1,3-4H3/t14-,15-/m1/s1
InChIKey OZHZJVVFPQYCNL-HUUCEWRRSA-N
Inlet Type Split (100:1)
Instrument Name Agilent model 5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201500533
Molecular Weight 218.384 g/mol
Quality 698
SMILES C1CC=C(CC[C@@]2([C@@](C1=C)(CCC2(C)C)[H])[H])C
SPLASH splash10-0006-9600000000-1b5b67780379ca1c4486
Source of Spectrum QE-21-SM6-4 (DOI: 10.1002/chem.201500533)
Wiley ID 1909113