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1-(Methoxycarbonyl)-2-methyl-4-(methylthio)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazinium - tetrafluoroborate
SpectraBase Compound ID HpbCHyNXiPa
InChI InChI=1S/C14H21N2O2S.BF4/c1-16-12(14(17)18-2)10-8-6-4-5-7-9-11(10)13(15-16)19-3;2-1(3,4)5/h4-9H2,1-3H3;/q+1;-1
InChIKey LCORWELJVJJTRP-UHFFFAOYSA-N
Mol Weight 368.2 g/mol
Molecular Formula C14H21BF4N2O2S
Exact Mass 368.135292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID APYPv7EduWH
Name 1-(Methoxycarbonyl)-2-methyl-4-(methylthio)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazinium - tetrafluoroborate
Alternate Name(s) 1-(methoxycarbonyl)-2-methyl-4-(methylsulfanyl)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-2-ium tetrafluoroborate
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Formula C14H21BF4N2O2S
InChI InChI=1S/C14H21N2O2S.BF4/c1-16-12(14(17)18-2)10-8-6-4-5-7-9-11(10)13(15-16)19-3;2-1(3,4)5/h4-9H2,1-3H3;/q+1;-1
InChIKey LCORWELJVJJTRP-UHFFFAOYSA-N
Molecular Weight 368.198 g/mol
SMILES [B-](F)(F)(F)F.c1([n+](nc(c2CCCCCCc12)SC)C)C(=O)OC
SPLASH splash10-014i-0930000000-7e2833f878641f0a63c0
Source of Spectrum D8-327-598-15
Wiley ID 1515500