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3-Methoxy-4-[3-[(tetrahydropyran-2-yl)oxy]-1-propynyl]-3-cyclobutene-1,2-dione
SpectraBase Compound ID 2ICSHLGt3yk
InChI InChI=1S/C13H14O5/c1-16-13-9(11(14)12(13)15)5-4-8-18-10-6-2-3-7-17-10/h10H,2-3,6-8H2,1H3
InChIKey VWMILNBJAAEYEY-UHFFFAOYSA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DpW1JoKc5Ti
Name 3-Methoxy-4-[3-[(tetrahydropyran-2-yl)oxy]-1-propynyl]-3-cyclobutene-1,2-dione
Alternate Name(s) 3-Methoxy-4-[3-(tetrahydro-2H-pyran-2-yloxy)-1-propynyl]-3-cyclobutene-1,2-dione
CAS Registry Number 113976-84-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-16-13-9(11(14)12(13)15)5-4-8-18-10-6-2-3-7-17-10/h10H,2-3,6-8H2,1H3
InChIKey VWMILNBJAAEYEY-UHFFFAOYSA-N
Molecular Weight 250.250 g/mol
SMILES C1(=C(OC)C(C1=O)=O)C#CCOC1OCCCC1
SPLASH splash10-056r-9100000000-9bda9eea51736a555c09
Source of Spectrum J-53-2481-3
Wiley ID 1253093