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2-Cyclobuten-1-one, 4-[7-(3-furanyl)-4-methyl-4-hepten-1-ynyl]-4-hydroxy-2,3-dimethoxy-, (E)-
SpectraBase Compound ID 7RMjR16PL3i
InChI InChI=1S/C18H20O5/c1-13(6-4-8-14-9-11-23-12-14)7-5-10-18(20)16(19)15(21-2)17(18)22-3/h6,9,11-12,20H,4,7-8H2,1-3H3/b13-6+
InChIKey UWRRVXQLRZYMCH-AWNIVKPZSA-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 JT1dAMqRoEl
Name 2-Cyclobuten-1-one, 4-[7-(3-furanyl)-4-methyl-4-hepten-1-ynyl]-4-hydroxy-2,3-dimethoxy-, (E)-
CAS Registry Number 118172-09-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O5
InChI InChI=1S/C18H20O5/c1-13(6-4-8-14-9-11-23-12-14)7-5-10-18(20)16(19)15(21-2)17(18)22-3/h6,9,11-12,20H,4,7-8H2,1-3H3/b13-6+
InChIKey UWRRVXQLRZYMCH-AWNIVKPZSA-N
Molecular Weight 316.353 g/mol
SMILES OC1(C(OC)=C(C1=O)OC)C#CC\C(=C\CCc1cocc1)C
SPLASH splash10-001i-9240000000-fe98c7e1d031631cd67b
Source of Spectrum C-111-993-9
Synonyms (E)-4-[7-(3-furanyl)-4-methyl-4-hepten-1-ynyl]-2,3-dimethoxy-4-hydroxy-2-cyclobuten-1-one 4-[(4E)-7-(3-furyl)-4-methyl-4-hepten-1-ynyl]-4-hydroxy-2,3-dimethoxy-2-cyclobuten-1-one
Wiley ID 1316789