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2-[2-(2-Butenyl)]-4-butyl-4-hydroxy-3-methoxy-2-cyclobuten-1-one
SpectraBase Compound ID 1KE3FyaccJZ
InChI InChI=1S/C13H20O3/c1-5-7-8-13(15)11(14)10(9(3)6-2)12(13)16-4/h6,15H,5,7-8H2,1-4H3/b9-6-
InChIKey VYMLFCCVLDQBFA-TWGQIWQCSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LA1Ye0upNlW
Name 2-[2-(2-Butenyl)]-4-butyl-4-hydroxy-3-methoxy-2-cyclobuten-1-one
Alternate Name(s) 4-Butyl-4-hydroxy-3-methoxy-2-[(1Z)-1-methyl-1-propenyl]-2-cyclobuten-1-one
CAS Registry Number 137394-89-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-5-7-8-13(15)11(14)10(9(3)6-2)12(13)16-4/h6,15H,5,7-8H2,1-4H3/b9-6-
InChIKey VYMLFCCVLDQBFA-TWGQIWQCSA-N
Molecular Weight 224.300 g/mol
SMILES OC1(C(C(=C1OC)\C(=C/C)C)=O)CCCC
SPLASH splash10-0a4i-9300000000-155eb474dc9af9104a62
Source of Spectrum J-57-333-0
Wiley ID 1225374