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3-[(17-Hydroxy-6,9,12-trioxa-3,15-dithiaheptadecyl)oxy]-4-(methylamino)benzaldehyde
SpectraBase Compound ID FAhpi3PIUPy
InChI InChI=1S/C20H33NO6S2/c1-21-19-3-2-18(17-23)16-20(19)27-11-15-29-14-10-26-8-6-24-5-7-25-9-13-28-12-4-22/h2-3,16-17,21-22H,4-15H2,1H3
InChIKey VARKFBUAXIELQN-UHFFFAOYSA-N
Mol Weight 447.6 g/mol
Molecular Formula C20H33NO6S2
Exact Mass 447.17493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1hwb5B26yW
Name 3-[(17-Hydroxy-6,9,12-trioxa-3,15-dithiaheptadecyl)oxy]-4-(methylamino)benzaldehyde
Appearance Yellow oil
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Formula C20H33NO6S2
InChI InChI=1S/C20H33NO6S2/c1-21-19-3-2-18(17-23)16-20(19)27-11-15-29-14-10-26-8-6-24-5-7-25-9-13-28-12-4-22/h2-3,16-17,21-22H,4-15H2,1H3
InChIKey VARKFBUAXIELQN-UHFFFAOYSA-N
Instrument Name Varian MAT-311A or Finnigan MAT 8430
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0005.b06
Molecular Weight 447.605 g/mol
Reported Formula C20H33NO6S2
SMILES OCCSCCOCCOCCOCCSCCOc1cc(ccc1NC)C=O
SPLASH splash10-06r2-6980000000-73e44fad93df663a1bcf
Source of Spectrum ARK-2004-40-5d
Thin-Layer Chromatography Rf = 0.30 (EtOAc)
Wiley ID 1875856