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2-chloro-1,3-bis(methoxymethoxy)-5-(pentadec-1-yn-1-yl)benzene
SpectraBase Compound ID Ivy8PXIB9Zk
InChI InChI=1S/C25H39ClO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-18-23(29-20-27-2)25(26)24(19-22)30-21-28-3/h18-19H,4-15,20-21H2,1-3H3
InChIKey XJVYGUUHWPEEIV-UHFFFAOYSA-N
Mol Weight 439.0 g/mol
Molecular Formula C25H39ClO4
Exact Mass 438.253687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45fwlrcPsYq
Name 2-chloro-1,3-bis(methoxymethoxy)-5-(pentadec-1-yn-1-yl)benzene
Appearance Brownish amorphous solid
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Formula C25H39ClO4
InChI InChI=1S/C25H39ClO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-18-23(29-20-27-2)25(26)24(19-22)30-21-28-3/h18-19H,4-15,20-21H2,1-3H3
InChIKey XJVYGUUHWPEEIV-UHFFFAOYSA-N
Instrument Name JEOL JMS-700 / JMS-DX303
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.7b00456
Molecular Weight 439.036 g/mol
Reported Formula C25H39O4(35)Cl
SMILES c1(Cl)c(cc(cc1OCOC)C#CCCCCCCCCCCCCC)OCOC
SPLASH splash10-0aor-9410500000-3665dcd58a2a22686af4
Source of Spectrum G4-80-SM9-15c
Wiley ID 1867570