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(R)-6-((S)-4-Methylenecyclohex-2-en-1-yl)heptan-2-one
SpectraBase Compound ID 4rtMOVIZAGT
InChI InChI=1S/C14H22O/c1-11-7-9-14(10-8-11)12(2)5-4-6-13(3)15/h7,9,12,14H,1,4-6,8,10H2,2-3H3/t12-,14+/m1/s1
InChIKey JBGIPSKNWHGYEW-OCCSQVGLSA-N
Mol Weight 206.33 g/mol
Molecular Formula C14H22O
Exact Mass 206.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jv314iUbeEX
Name (R)-6-((S)-4-Methylenecyclohex-2-en-1-yl)heptan-2-one
Appearance Colorless oil
Carrier Gas Helium (1.2 ml/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.167065327 u
Formula C14H22O
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/C14H22O/c1-11-7-9-14(10-8-11)12(2)5-4-6-13(3)15/h7,9,12,14H,1,4-6,8,10H2,2-3H3/t12-,14+/m1/s1
InChIKey JBGIPSKNWHGYEW-OCCSQVGLSA-N
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/chem.202100962
Molecular Weight 206.329 g/mol
Optical Rotation [a]D20 = +21.4 (c = 0.21, CH2Cl2)
Quality 373
Reported Formula C14H22O
SMILES C(C[C@]([C@]1(C=CC(CC1)=C)[H])(C)[H])CC(=O)C
SPLASH splash10-0006-9300000000-8b837419422cd45af705
Source of Spectrum QE-27-SM97-33 (DOI: 10.1002/chem.202100962)
Thin-Layer Chromatography 0.48 (cyclohexane/ethyl acetate, 5:1):
Wiley ID 1904020