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(S)-3-(Cyclohex-1-en-1-yl)-1-(4-(prop-1-en-2-yl)cyclohex-1-en-1-yl)prop-2-yn-1-one
SpectraBase Compound ID 3nrc4PmMHq5
InChI InChI=1S/C18H22O/c1-14(2)16-9-11-17(12-10-16)18(19)13-8-15-6-4-3-5-7-15/h6,11,16H,1,3-5,7,9-10,12H2,2H3/t16-/m1/s1
InChIKey DCQCOYLOAJMTGX-MRXNPFEDSA-N
Mol Weight 254.37 g/mol
Molecular Formula C18H22O
Exact Mass 254.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HNbfj8TDxuq
Name (S)-3-(Cyclohex-1-en-1-yl)-1-(4-(prop-1-en-2-yl)cyclohex-1-en-1-yl)prop-2-yn-1-one
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Exact Mass 254.167065327 u
Formula C18H22O
InChI InChI=1S/C18H22O/c1-14(2)16-9-11-17(12-10-16)18(19)13-8-15-6-4-3-5-7-15/h6,11,16H,1,3-5,7,9-10,12H2,2H3/t16-/m1/s1
InChIKey DCQCOYLOAJMTGX-MRXNPFEDSA-N
Instrument Name FINNIGAN SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.202102959
Molecular Weight 254.373 g/mol
Quality 153
Reported Formula C18H22O
SMILES C=C(C)[C@@]1(CC=C(CC1)C(C#CC1=CCCCC1)=O)[H]
SPLASH splash10-0ilc-0690000000-cb9fb109e84265a2462e
Source of Spectrum QE-27-SM21-10l (DOI: 10.1002/chem.202102959)
Wiley ID 1904187