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2-Cyclobuten-1-one, 4-hydroxy-2,3-dimethoxy-4-[3-[(tetrahydro-2H-pyran-2-yl)oxy]-1-propynyl]-
SpectraBase Compound ID Go6ad4nvP2A
InChI InChI=1S/C16H16O5/c1-19-13-14(17)16(18,15(13)20-2)9-6-10-21-11-12-7-4-3-5-8-12/h3-5,7-8,18H,10-11H2,1-2H3
InChIKey BLQFMQDROMKXCX-UHFFFAOYSA-N
Mol Weight 288.3 g/mol
Molecular Formula C16H16O5
Exact Mass 288.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FznQyJZMeaS
Name 2-Cyclobuten-1-one, 4-hydroxy-2,3-dimethoxy-4-[3-[(tetrahydro-2H-pyran-2-yl)oxy]-1-propynyl]-
Alternate Name(s) 4-[3-(benzyloxy)-1-propynyl]-2,3-dimethoxy-4-hydroxy-2-cyclobuten-1-one 4-[3-(benzyloxy)-1-propynyl]-4-hydroxy-2,3-dimethoxy-2-cyclobuten-1-one
CAS Registry Number 113976-73-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O5
InChI InChI=1S/C16H16O5/c1-19-13-14(17)16(18,15(13)20-2)9-6-10-21-11-12-7-4-3-5-8-12/h3-5,7-8,18H,10-11H2,1-2H3
InChIKey BLQFMQDROMKXCX-UHFFFAOYSA-N
Molecular Weight 288.299 g/mol
SMILES OC1(C(OC)=C(C1=O)OC)C#CCOCc1ccccc1
SPLASH splash10-0gdl-9000000000-44168f635b9b16bb89fe
Source of Spectrum J-53-2480-2
Wiley ID 1291671