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Ethanethiol, 2-(4-(p-methoxyphenyl)butyl)amino-2-methyl-, hydrogen thiosulfate

View entire compound with spectra: 1 NMR

Ethanethiol, 2-(4-(p-methoxyphenyl)butyl)amino-2-methyl-, hydrogen thiosulfate
SpectraBase Compound ID JrE6EK0lVam
InChI InChI=1S/C14H23NO4S2/c1-12(11-20-21(16,17)18)15-10-4-3-5-13-6-8-14(19-2)9-7-13/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,16,17,18)
InChIKey ODCRDIUZBXHSBN-UHFFFAOYSA-N
Mol Weight 333.46 g/mol
Molecular Formula C14H23NO4S2
Exact Mass 333.106851 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EPj8US1cqgl
Name Ethanethiol, 2-(4-(p-methoxyphenyl)butyl)amino-2-methyl-, hydrogen thiosulfate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.106850569 u
Formula C14H23NO4S2
InChI InChI=1S/C14H23NO4S2/c1-12(11-20-21(16,17)18)15-10-4-3-5-13-6-8-14(19-2)9-7-13/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,16,17,18)
InChIKey ODCRDIUZBXHSBN-UHFFFAOYSA-N
Molecular Weight 333.461 g/mol
SMILES C(CSS(=O)(=O)O)(NCCCCC1=CC=C(C=C1)OC)C