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4-(4-Chloro3,5-bis(methoxymethoxy)phenyl)but-3-yn-1-ol
SpectraBase Compound ID 7DyDmuEO8dB
InChI InChI=1S/C14H17ClO5/c1-17-9-19-12-7-11(5-3-4-6-16)8-13(14(12)15)20-10-18-2/h7-8,16H,4,6,9-10H2,1-2H3
InChIKey CVMRVNDIVBPSSH-UHFFFAOYSA-N
Mol Weight 300.74 g/mol
Molecular Formula C14H17ClO5
Exact Mass 300.076451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4qqzx9gqN5D
Name 4-(4-Chloro3,5-bis(methoxymethoxy)phenyl)but-3-yn-1-ol
Appearance Colorless amorphous solid
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Formula C14H17ClO5
InChI InChI=1S/C14H17ClO5/c1-17-9-19-12-7-11(5-3-4-6-16)8-13(14(12)15)20-10-18-2/h7-8,16H,4,6,9-10H2,1-2H3
InChIKey CVMRVNDIVBPSSH-UHFFFAOYSA-N
Instrument Name JEOL JMS-700 / JMS-DX303
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.7b00456
Molecular Weight 300.738 g/mol
Reported Formula C14H17O5(35)Cl
SMILES OCCC#Cc1cc(c(Cl)c(c1)OCOC)OCOC
SPLASH splash10-0f6t-9207000000-b02bb724a0218b0afeba
Source of Spectrum G4-80-SM3-11f
Wiley ID 1867562