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2-Ethenyl-4-hexynyl-4-hydroxy-3-methoxy-2-cyclobuten-1-one
SpectraBase Compound ID FdC85tJgj99
InChI InChI=1S/C13H16O3/c1-4-6-7-9(5-2)8-10-11(14)12(15)13(10)16-3/h5,9,12,15H,2,7-8H2,1,3H3
InChIKey HQIOHBAJHWHVJN-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HikxOcNIKb7
Name 2-Ethenyl-4-hexynyl-4-hydroxy-3-methoxy-2-cyclobuten-1-one
CAS Registry Number 122745-88-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-4-6-7-9(5-2)8-10-11(14)12(15)13(10)16-3/h5,9,12,15H,2,7-8H2,1,3H3
InChIKey HQIOHBAJHWHVJN-UHFFFAOYSA-N
Molecular Weight 220.268 g/mol
SMILES OC1C(C(=C1OC)CC(C=C)CC#CC)=O
SPLASH splash10-02dm-9400000000-def5a84fe2677eddaf4a
Source of Spectrum J-57-333-0
Synonyms 4-Hydroxy-3-methoxy-2-(2-vinyl-4-hexynyl)-2-cyclobuten-1-one
Wiley ID 1219953