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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-butynyl]-
SpectraBase Compound ID 5y0fXGSBht3
InChI InChI=1S/C18H20O5/c1-12(23-15-5-3-4-10-22-15)6-8-18(20)9-7-13-11-14(21-2)16(13)17(18)19/h7,9,11-12,15,20H,3-5,10H2,1-2H3
InChIKey SMUUSBVSUVUDAS-UHFFFAOYSA-N
Mol Weight 316.35 g/mol
Molecular Formula C18H20O5
Exact Mass 316.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CUh1f2yv96p
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-butynyl]-
CAS Registry Number 107245-43-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O5
InChI InChI=1S/C18H20O5/c1-12(23-15-5-3-4-10-22-15)6-8-18(20)9-7-13-11-14(21-2)16(13)17(18)19/h7,9,11-12,15,20H,3-5,10H2,1-2H3
InChIKey SMUUSBVSUVUDAS-UHFFFAOYSA-N
Molecular Weight 316.353 g/mol
SMILES OC1(C#CC(OC2OCCCC2)C)C(C=2C(C=C1)=CC2OC)=O
SPLASH splash10-03y0-4090000000-8dc51b5d145686aca1c6
Source of Spectrum C-111-994-19
Synonyms 3-Hydroxy-8-methoxy-3-[3-(tetrahydro-2H-pyran-2-yloxy)-1-butynyl]bicyclo[4.2.0]octa-1(8),4,6-trien-2-one 5-Hydroxy-1-methoxy-5-[3-(tetrahydropyran-2-y)oxybutynyl]benzocyclobuten-6-one
Wiley ID 1316788