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S-[2-[4-Phthalimidobutylamino]ethyl thiosulfuric acid

View entire compound with spectra: 1 NMR

S-[2-[4-Phthalimidobutylamino]ethyl thiosulfuric acid
SpectraBase Compound ID 8YPPXXveRnA
InChI InChI=1S/C14H18N2O5S2/c17-13-11-5-1-2-6-12(11)14(18)16(13)9-4-3-7-15-8-10-22-23(19,20)21/h1-2,5-6,15H,3-4,7-10H2,(H,19,20,21)
InChIKey AICSKFADJWTUPT-UHFFFAOYSA-N
Mol Weight 358.43 g/mol
Molecular Formula C14H18N2O5S2
Exact Mass 358.065714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BpcAnu2Smga
Name S-[2-[4-Phthalimidobutylamino]ethyl thiosulfuric acid
Comments Computed using HOSE algorithm
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Exact Mass 358.065714031 u
Formula C14H18N2O5S2
InChI InChI=1S/C14H18N2O5S2/c17-13-11-5-1-2-6-12(11)14(18)16(13)9-4-3-7-15-8-10-22-23(19,20)21/h1-2,5-6,15H,3-4,7-10H2,(H,19,20,21)
InChIKey AICSKFADJWTUPT-UHFFFAOYSA-N
Molecular Weight 358.427 g/mol
SMILES C(SS(=O)(=O)O)CNCCCCN1C(=O)C2=CC=CC=C2C1=O