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Bicyclo[4.2.0]octa-1,3,5-trien-7-one, 8-hydroxy-5-methoxy-8-[3-[(tetrahydro-2H-pyran-2-yl)oxy]-1-hexynyl]-
SpectraBase Compound ID KcHVFFC5wYF
InChI InChI=1S/C20H24O5/c1-3-6-15(25-17-7-4-5-12-24-17)9-11-20(22)10-8-14-13-16(23-2)18(14)19(20)21/h8,10,13,15,17,22H,3-7,12H2,1-2H3
InChIKey LZGSWBPMLQZUME-UHFFFAOYSA-N
Mol Weight 344.41 g/mol
Molecular Formula C20H24O5
Exact Mass 344.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1j5N1kbqkTb
Name Bicyclo[4.2.0]octa-1,3,5-trien-7-one, 8-hydroxy-5-methoxy-8-[3-[(tetrahydro-2H-pyran-2-yl)oxy]-1-hexynyl]-
CAS Registry Number 107245-48-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O5
InChI InChI=1S/C20H24O5/c1-3-6-15(25-17-7-4-5-12-24-17)9-11-20(22)10-8-14-13-16(23-2)18(14)19(20)21/h8,10,13,15,17,22H,3-7,12H2,1-2H3
InChIKey LZGSWBPMLQZUME-UHFFFAOYSA-N
Molecular Weight 344.407 g/mol
SMILES OC1(C#CC(OC2OCCCC2)CCC)C(C=2C(C=C1)=CC2OC)=O
SPLASH splash10-03dr-4090000000-6e692bb7e1aecf097dfc
Source of Spectrum C-111-994-0
Synonyms 3-Hydroxy-8-methoxy-3-[3-(tetrahydro-2H-pyran-2-yloxy)-1-hexynyl]bicyclo[4.2.0]octa-1(8),4,6-trien-2-one 5-Hydroxy-1-methoxy-5-[3-(tetrahydropyran-2-yloxy)hexyn-1-yl]benzocyclobuten-6-one
Wiley ID 1338002