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2-(1-Butyl)-4-hydroxy-3-methoxy-4-phenyl-2-cyclobuten-1-one

View entire compound with spectra: 2 MS (GC)

2-(1-Butyl)-4-hydroxy-3-methoxy-4-phenyl-2-cyclobuten-1-one
SpectraBase Compound ID H6KreEDMbSD
InChI InChI=1S/C15H18O3/c1-3-4-10-12-13(16)15(17,14(12)18-2)11-8-6-5-7-9-11/h5-9,17H,3-4,10H2,1-2H3
InChIKey BPYAGGSFLDDNCE-UHFFFAOYSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5oEnn7crBCi
Name 2-(1-Butyl)-4-hydroxy-3-methoxy-4-phenyl-2-cyclobuten-1-one
CAS Registry Number 122745-91-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-3-4-10-12-13(16)15(17,14(12)18-2)11-8-6-5-7-9-11/h5-9,17H,3-4,10H2,1-2H3
InChIKey BPYAGGSFLDDNCE-UHFFFAOYSA-N
Molecular Weight 246.306 g/mol
SMILES OC1(C(OC)=C(C1=O)CCCC)c1ccccc1
SPLASH splash10-0a6r-7900000000-d99a571ab91fb6e75b46
Source of Spectrum J-57-333-0
Synonyms 2-Butyl-4-hydroxy-3-methoxy-4-phenyl-2-cyclobuten-1-one
Wiley ID 1249263