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2,8-Dimethyl-4,6-bis(aminomethyl)phenoxathiin-10,10-dioxide
SpectraBase Compound ID 4xOH7XkFMYb
InChI InChI=1S/C16H18N2O3S/c1-9-3-11(7-17)15-13(5-9)22(19,20)14-6-10(2)4-12(8-18)16(14)21-15/h3-6H,7-8,17-18H2,1-2H3
InChIKey QSZGLHAYSANGIA-UHFFFAOYSA-N
Mol Weight 318.39 g/mol
Molecular Formula C16H18N2O3S
Exact Mass 318.103814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8WEXqhdErWv
Name 2,8-Dimethyl-4,6-bis(aminomethyl)phenoxathiin-10,10-dioxide
Alternate Name(s) [6-(aminomethyl)-2,8-dimethyl-10,10-dioxido-4-phenoxathiinyl]methanamine [6-(aminomethyl)-2,8-dimethyl-10,10-dioxido-4-phenoxathiinyl]methylamine
Comments Less than 3 mono-isotopic peaks
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Formula C16H18N2O3S
InChI InChI=1S/C16H18N2O3S/c1-9-3-11(7-17)15-13(5-9)22(19,20)14-6-10(2)4-12(8-18)16(14)21-15/h3-6H,7-8,17-18H2,1-2H3
InChIKey QSZGLHAYSANGIA-UHFFFAOYSA-N
Molecular Weight 318.391 g/mol
SMILES NCc1c2c(S(c3c(c(CN)cc(c3)C)O2)(=O)=O)cc(c1)C
SPLASH splash10-0udi-0009000000-eb3deef7cfcbb0dfd25e
Source of Spectrum F-49-10838-6
Wiley ID 788878