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(S)-3-methylene-6-((R)-6-methylhept-6-en-2-yl)cyclohex-1-ene
SpectraBase Compound ID 2MQPK88FrRm
InChI InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h8,10,14-15H,1,3,5-7,9,11H2,2,4H3/t14-,15+/m1/s1
InChIKey ZNWYHVNMBIUWQR-CABCVRRESA-N
Mol Weight 204.36 g/mol
Molecular Formula C15H24
Exact Mass 204.187801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ERqWKntyCeQ
Name (S)-3-methylene-6-((R)-6-methylhept-6-en-2-yl)cyclohex-1-ene
Appearance Colorless oil
Carrier Gas Helium (1.2 ml/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.187800773 u
Formula C15H24
GC Column HP5-MS UI (30 m x 0.25 mm, film thickness 0.50 micrometer)
GC Oven Program Oven temp 320oC
InChI InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h8,10,14-15H,1,3,5-7,9,11H2,2,4H3/t14-,15+/m1/s1
InChIKey ZNWYHVNMBIUWQR-CABCVRRESA-N
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/chem.202100962
Molecular Weight 204.357 g/mol
Optical Rotation [a]D20 = +3.3 (c = 0.03, CH2Cl2)
Quality 329
Reported Formula C15H24
SMILES C(C[C@]([C@]1(C=CC(=C)CC1)[H])(C)[H])CC(=C)C
SPLASH splash10-0006-9200000000-420e2ef02172cb3cd73d
Sample Comments iso-beta-Sesquiphellandrene
Source of Spectrum QE-27-SM70-29 (DOI: 10.1002/chem.202100962)
Thin-Layer Chromatography 0.68 (pentane)
Wiley ID 1904019