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1,5-Dihydroxy-3,6-bis(2-methylbut-3-yn-2-yloxy)-9H-xanthen-9-one
SpectraBase Compound ID InYJpK7obTG
InChI InChI=1S/C23H20O6/c1-7-22(3,4)28-13-11-15(24)18-17(12-13)27-21-14(19(18)25)9-10-16(20(21)26)29-23(5,6)8-2/h1-2,9-12,24,26H,3-6H3
InChIKey DGMJTNXZMWYUCR-UHFFFAOYSA-N
Mol Weight 392.41 g/mol
Molecular Formula C23H20O6
Exact Mass 392.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L4JfaDrBJcE
Name 1,5-Dihydroxy-3,6-bis(2-methylbut-3-yn-2-yloxy)-9H-xanthen-9-one
Appearance Light yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20O6
InChI InChI=1S/C23H20O6/c1-7-22(3,4)28-13-11-15(24)18-17(12-13)27-21-14(19(18)25)9-10-16(20(21)26)29-23(5,6)8-2/h1-2,9-12,24,26H,3-6H3
InChIKey DGMJTNXZMWYUCR-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-2010
Ionization Type EI
Literature Reference DOI 10.1021/jm301593r
Molecular Weight 392.407 g/mol
SMILES Oc1c2c(C(c3c(cc(cc3O)OC(C#C)(C)C)O2)=O)ccc1OC(C#C)(C)C
SPLASH splash10-0bt9-9033000000-266ca8c120eecf31fc38
Source of Spectrum AF-56-SM3-7a
Wiley ID 1854488