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6-(4-chloro-3,5-bis(methoxymethoxy)phenyl)hex-5-yn-1-ol
SpectraBase Compound ID 92INWtJiTio
InChI InChI=1S/C16H21ClO5/c1-19-11-21-14-9-13(7-5-3-4-6-8-18)10-15(16(14)17)22-12-20-2/h9-10,18H,3-4,6,8,11-12H2,1-2H3
InChIKey XQGOHHQUSJJBEG-UHFFFAOYSA-N
Mol Weight 328.79 g/mol
Molecular Formula C16H21ClO5
Exact Mass 328.107751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYlYkuhKyqE
Name 6-(4-chloro-3,5-bis(methoxymethoxy)phenyl)hex-5-yn-1-ol
Appearance Yellowish amorphous solid
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Formula C16H21ClO5
InChI InChI=1S/C16H21ClO5/c1-19-11-21-14-9-13(7-5-3-4-6-8-18)10-15(16(14)17)22-12-20-2/h9-10,18H,3-4,6,8,11-12H2,1-2H3
InChIKey XQGOHHQUSJJBEG-UHFFFAOYSA-N
Instrument Name JEOL JMS-700 / JMS-DX303
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.7b00456
Molecular Weight 328.792 g/mol
Reported Formula C16H21O5(35)Cl
SMILES OCCCCC#Cc1cc(c(Cl)c(c1)OCOC)OCOC
SPLASH splash10-056r-7019000000-710ccdd23b1e6b9316a4
Source of Spectrum G4-80-SM3-11g
Wiley ID 1867563