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

View entire compound with spectra: 1 MS (GC)

2-(2-Butyl)-4-hydroxy-3-methoxy-4-phenyl-2-cyclobuten-1-one
SpectraBase Compound ID 4GCdbUqitsJ
InChI InChI=1S/C15H18O3/c1-4-10(2)12-13(16)15(17,14(12)18-3)11-8-6-5-7-9-11/h5-10,17H,4H2,1-3H3
InChIKey ZRLVUZQSSUYAMX-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 205j6QyTLeU
Name 2-(2-Butyl)-4-hydroxy-3-methoxy-4-phenyl-2-cyclobuten-1-one
Alternate Name(s) 2-sec-butyl-4-hydroxy-3-methoxy-4-phenyl-2-cyclobuten-1-one
CAS Registry Number 137394-94-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-4-10(2)12-13(16)15(17,14(12)18-3)11-8-6-5-7-9-11/h5-10,17H,4H2,1-3H3
InChIKey ZRLVUZQSSUYAMX-UHFFFAOYSA-N
Molecular Weight 246.306 g/mol
SMILES OC1(C(OC)=C(C1=O)C(CC)C)c1ccccc1
SPLASH splash10-0a6r-7900000000-b229ea7c315685ac9f09
Source of Spectrum J-57-334-0
Wiley ID 1249262