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Pyritinol
SpectraBase Compound ID 53Hq5SS9Qgy
InChI InChI=1S/C16H20N2O4S2/c1-9-15(21)13(5-19)11(3-17-9)7-23-24-8-12-4-18-10(2)16(22)14(12)6-20/h3-4,19-22H,5-8H2,1-2H3
InChIKey SIXLXDIJGIWWFU-UHFFFAOYSA-N
Mol Weight 368.47 g/mol
Molecular Formula C16H20N2O4S2
Exact Mass 368.086449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I8SMzUJrsNW
Name PYRITINOL
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H20N2O4S2
InChI InChI=1S/C16H20N2O4S2/c1-9-15(21)13(5-19)11(3-17-9)7-23-24-8-12-4-18-10(2)16(22)14(12)6-20/h3-4,19-22H,5-8H2,1-2H3
InChIKey SIXLXDIJGIWWFU-UHFFFAOYSA-N
Instrument Name DI
Molecular Weight 368.466 g/mol
SMILES OCc1c(CSSCc2c(CO)c(c(nc2)C)O)cnc(c1O)C
SPLASH splash10-014r-4900000000-df440b291fee6e626b54
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany