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Ethanethiol, 2-(5-phthalimidopentylamino)-, hydrogen sulfate

View entire compound with spectra: 1 NMR

Ethanethiol, 2-(5-phthalimidopentylamino)-, hydrogen sulfate
SpectraBase Compound ID FxXJrwOM0D4
InChI InChI=1S/C15H20N2O5S2/c18-14-12-6-2-3-7-13(12)15(19)17(14)10-5-1-4-8-16-9-11-23-24(20,21)22/h2-3,6-7,16H,1,4-5,8-11H2,(H,20,21,22)
InChIKey KWWFIYOMVNMCJZ-UHFFFAOYSA-N
Mol Weight 372.45 g/mol
Molecular Formula C15H20N2O5S2
Exact Mass 372.081364 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FQdHkYQgRuS
Name Ethanethiol, 2-(5-phthalimidopentylamino)-, hydrogen sulfate
Comments Computed using HOSE algorithm
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Exact Mass 372.081364095 u
Formula C15H20N2O5S2
InChI InChI=1S/C15H20N2O5S2/c18-14-12-6-2-3-7-13(12)15(19)17(14)10-5-1-4-8-16-9-11-23-24(20,21)22/h2-3,6-7,16H,1,4-5,8-11H2,(H,20,21,22)
InChIKey KWWFIYOMVNMCJZ-UHFFFAOYSA-N
Molecular Weight 372.454 g/mol
SMILES C12=C(C=CC=C2)C(=O)N(C1=O)CCCCCNCCSS(=O)(=O)O