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3-Methoxy-4-(phenylethynyl)-3-cyclobutene-1,2-dione
SpectraBase Compound ID 27tHgyFzWty
InChI InChI=1S/C13H8O3/c1-16-13-10(11(14)12(13)15)8-7-9-5-3-2-4-6-9/h2-6H,1H3
InChIKey VYGRGZSBTQUXQE-UHFFFAOYSA-N
Mol Weight 212.2 g/mol
Molecular Formula C13H8O3
Exact Mass 212.047344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HR1w8mAVE8T
Name 3-Methoxy-4-(phenylethynyl)-3-cyclobutene-1,2-dione
Alternate Name(s) 3-Methoxy-4-(2-phenylethynyl)cyclobut-3-ene-1,2-dione
CAS Registry Number 113976-82-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8O3
InChI InChI=1S/C13H8O3/c1-16-13-10(11(14)12(13)15)8-7-9-5-3-2-4-6-9/h2-6H,1H3
InChIKey VYGRGZSBTQUXQE-UHFFFAOYSA-N
Molecular Weight 212.204 g/mol
SMILES C1(=C(OC)C(C1=O)=O)C#Cc1ccccc1
SPLASH splash10-052f-0910000000-98746d6b84a5f6ba721d
Source of Spectrum J-53-2481-3
Wiley ID 1211674