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10,10-Dimethyl-4-(octanoyl)-4-aza-5-thiatricyclo[5.2.1.0(3,7)]decane 5,5-dioxide
SpectraBase Compound ID BJYfS6ssCMY
InChI InChI=1S/C18H31NO3S/c1-4-5-6-7-8-9-16(20)19-15-12-14-10-11-18(15,17(14,2)3)13-23(19,21)22/h14-15H,4-13H2,1-3H3/t14-,15?,18-/m1/s1
InChIKey JSPHNRUWCOHPAN-KZXIYFNPSA-N
Mol Weight 341.51 g/mol
Molecular Formula C18H31NO3S
Exact Mass 341.202465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKz3nGhHeDU
Name 10,10-Dimethyl-4-(octanoyl)-4-aza-5-thiatricyclo[5.2.1.0(3,7)]decane 5,5-dioxide
Comments Less than 3 mono-isotopic peaks
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Formula C18H31NO3S
InChI InChI=1S/C18H31NO3S/c1-4-5-6-7-8-9-16(20)19-15-12-14-10-11-18(15,17(14,2)3)13-23(19,21)22/h14-15H,4-13H2,1-3H3/t14-,15?,18-/m1/s1
InChIKey JSPHNRUWCOHPAN-KZXIYFNPSA-N
Molecular Weight 341.510 g/mol
SMILES C12N(S(C[C@@]11C([C@@](C2)(CC1)[H])(C)C)(=O)=O)C(=O)CCCCCCC
SPLASH splash10-0a4i-0090000000-be8a596c2731ba92bc72
Source of Spectrum U1-2011-2724-1b
Wiley ID 1665415