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S-2-[[1-Adamantylmethyl]amino]propyl hydrogen thiosulfate

View entire compound with spectra: 1 NMR

S-2-[[1-Adamantylmethyl]amino]propyl hydrogen thiosulfate
SpectraBase Compound ID B7hN48D6uDl
InChI InChI=1S/C14H25NO3S2/c16-20(17,18)19-3-1-2-15-10-14-7-11-4-12(8-14)6-13(5-11)9-14/h11-13,15H,1-10H2,(H,16,17,18)/t11-,12+,13-,14-
InChIKey CDTDPWBQQOENND-YXSUXZIUSA-N
Mol Weight 319.48 g/mol
Molecular Formula C14H25NO3S2
Exact Mass 319.127586 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BtTvC3RyN8i
Name S-2-[[1-Adamantylmethyl]amino]propyl hydrogen thiosulfate
Comments Computed using HOSE algorithm
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Exact Mass 319.127586014 u
Formula C14H25NO3S2
InChI InChI=1S/C14H25NO3S2/c16-20(17,18)19-3-1-2-15-10-14-7-11-4-12(8-14)6-13(5-11)9-14/h11-13,15H,1-10H2,(H,16,17,18)/t11-,12+,13-,14-
InChIKey CDTDPWBQQOENND-YXSUXZIUSA-N
Molecular Weight 319.478 g/mol
SMILES C1[C@]2(C[C@]3(CC1(CNCCCSS(=O)(=O)O)C[C@@](C2)(C3)[H])[H])[H]