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5-[4-chloro-3,5-bis(methoxymethoxy)phenyl]pent-4-yn-1-ol
SpectraBase Compound ID 46gSLFpoldo
InChI InChI=1S/C15H19ClO5/c1-18-10-20-13-8-12(6-4-3-5-7-17)9-14(15(13)16)21-11-19-2/h8-9,17H,3,5,7,10-11H2,1-2H3
InChIKey MCJNKDGQOURVFZ-UHFFFAOYSA-N
Mol Weight 314.77 g/mol
Molecular Formula C15H19ClO5
Exact Mass 314.092101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2RvaVFGPZI
Name 5-[4-chloro-3,5-bis(methoxymethoxy)phenyl]pent-4-yn-1-ol
Appearance Yellowish amorphous solid
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Formula C15H19ClO5
InChI InChI=1S/C15H19ClO5/c1-18-10-20-13-8-12(6-4-3-5-7-17)9-14(15(13)16)21-11-19-2/h8-9,17H,3,5,7,10-11H2,1-2H3
InChIKey MCJNKDGQOURVFZ-UHFFFAOYSA-N
Instrument Name JEOL JMS-700 / JMS-DX303
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.7b00456
Molecular Weight 314.765 g/mol
Reported Formula C15H19O5(35)Cl
SMILES OCCCC#Cc1cc(c(c(c1)OCOC)Cl)OCOC
SPLASH splash10-03di-0229000000-22f6ccd8da24c073885f
Source of Spectrum G4-80-SM10-16d
Wiley ID 1867571