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1,5-Dihydroxy-6-(2-methylbut-3-yn-2-yloxy)-9H-xanthen-9-one
SpectraBase Compound ID 4zVlO4IvtwT
InChI InChI=1S/C18H14O5/c1-4-18(2,3)23-13-9-8-10-15(20)14-11(19)6-5-7-12(14)22-17(10)16(13)21/h1,5-9,19,21H,2-3H3
InChIKey RLOHPCKUVWVOQP-UHFFFAOYSA-N
Mol Weight 310.31 g/mol
Molecular Formula C18H14O5
Exact Mass 310.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8DBJgLCeak
Name 1,5-Dihydroxy-6-(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 C18H14O5
InChI InChI=1S/C18H14O5/c1-4-18(2,3)23-13-9-8-10-15(20)14-11(19)6-5-7-12(14)22-17(10)16(13)21/h1,5-9,19,21H,2-3H3
InChIKey RLOHPCKUVWVOQP-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-2010
Ionization Type EI
Literature Reference DOI 10.1021/jm301593r
Molecular Weight 310.305 g/mol
SMILES Oc1c2c(C(c3c(cccc3O)O2)=O)ccc1OC(C#C)(C)C
SPLASH splash10-0006-2091000000-ae2c72ffe7c9419f65c9
Source of Spectrum AF-56-SM3-8a
Wiley ID 1854500