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3-[4-chloro-3,5-bis(methoxymethoxy)phenyl]prop-2-yn-1-ol
SpectraBase Compound ID I8Z8pZEH5Bh
InChI InChI=1S/C13H15ClO5/c1-16-8-18-11-6-10(4-3-5-15)7-12(13(11)14)19-9-17-2/h6-7,15H,5,8-9H2,1-2H3
InChIKey VHCBQLMCOPYBIH-UHFFFAOYSA-N
Mol Weight 286.71 g/mol
Molecular Formula C13H15ClO5
Exact Mass 286.060801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Rlqcta1IZ3
Name 3-[4-chloro-3,5-bis(methoxymethoxy)phenyl]prop-2-yn-1-ol
Appearance Yellowish amorphous solid
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Formula C13H15ClO5
InChI InChI=1S/C13H15ClO5/c1-16-8-18-11-6-10(4-3-5-15)7-12(13(11)14)19-9-17-2/h6-7,15H,5,8-9H2,1-2H3
InChIKey VHCBQLMCOPYBIH-UHFFFAOYSA-N
Instrument Name JEOL JMS-700 / JMS-DX303
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.7b00456
Molecular Weight 286.711 g/mol
Reported Formula C13H15O5(35)Cl
SMILES OCC#Cc1cc(c(c(c1)OCOC)Cl)OCOC
SPLASH splash10-0002-9050000000-d765dcdd182b4999fa4d
Source of Spectrum G4-80-SM11-16h
Wiley ID 1867573