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Thiosulfuric acid S-2-[[4-[m-[diethylamino]phenoxy]butyl]amino]ethyl ester

View entire compound with spectra: 1 NMR

Thiosulfuric acid S-2-[[4-[m-[diethylamino]phenoxy]butyl]amino]ethyl ester
SpectraBase Compound ID uFzSP7tRLL
InChI InChI=1S/C16H28N2O4S2/c1-3-18(4-2)15-8-7-9-16(14-15)22-12-6-5-10-17-11-13-23-24(19,20)21/h7-9,14,17H,3-6,10-13H2,1-2H3,(H,19,20,21)
InChIKey FZJJDFDMIFHZDW-UHFFFAOYSA-N
Mol Weight 376.53 g/mol
Molecular Formula C16H28N2O4S2
Exact Mass 376.14905 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CrvXY97SLaN
Name Thiosulfuric acid S-2-[[4-[m-[diethylamino]phenoxy]butyl]amino]ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 376.149049734 u
Formula C16H28N2O4S2
InChI InChI=1S/C16H28N2O4S2/c1-3-18(4-2)15-8-7-9-16(14-15)22-12-6-5-10-17-11-13-23-24(19,20)21/h7-9,14,17H,3-6,10-13H2,1-2H3,(H,19,20,21)
InChIKey FZJJDFDMIFHZDW-UHFFFAOYSA-N
Molecular Weight 376.530 g/mol
SMILES C(SS(=O)(=O)O)CNCCCCOC1=CC=CC(=C1)N(CC)CC