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(S)-1-(4-(Prop-1-en-2-yl)cyclohex-1-en-1-yl)but-2-yn-1-one
SpectraBase Compound ID 9Q3FPQhZUxy
InChI InChI=1S/C13H16O/c1-4-5-13(14)12-8-6-11(7-9-12)10(2)3/h8,11H,2,6-7,9H2,1,3H3/t11-/m1/s1
InChIKey XWNKRZSUYTYWED-LLVKDONJSA-N
Mol Weight 188.27 g/mol
Molecular Formula C13H16O
Exact Mass 188.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JMyu787ECwc
Name (S)-1-(4-(Prop-1-en-2-yl)cyclohex-1-en-1-yl)but-2-yn-1-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 188.120115134 u
Formula C13H16O
InChI InChI=1S/C13H16O/c1-4-5-13(14)12-8-6-11(7-9-12)10(2)3/h8,11H,2,6-7,9H2,1,3H3/t11-/m1/s1
InChIKey XWNKRZSUYTYWED-LLVKDONJSA-N
Instrument Name FINNIGAN SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.202102959
Molecular Weight 188.270 g/mol
Reported Formula C13H16O
SMILES C=C(C)[C@@]1(CC=C(CC1)C(C#CC)=O)[H]
SPLASH splash10-014j-7900000000-a0ecd0c7847fd014d69e
Source of Spectrum QE-27-SM21-10k (DOI: 10.1002/chem.202102959)
Wiley ID 1904186