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Tri (methoxypropyl thioethanol amine) 1-ethyl oleic ester

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Tri (methoxypropyl thioethanol amine) 1-ethyl oleic ester
SpectraBase Compound ID 8VOgXOsUyHB
InChI InChI=1S/C36H70N2O5S2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-35(39)43-34-36(31-40-24-4-2,32-41-25-19-27-44-29-22-37)33-42-26-20-28-45-30-23-38/h4,11-12H,2-3,5-10,13-34,37-38H2,1H3/b12-11-
InChIKey XVIXIEOWXBNZGK-QXMHVHEDSA-N
Mol Weight 675.1 g/mol
Molecular Formula C36H70N2O5S2
Exact Mass 674.472616 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EJJEOp2svp8
Name tri (Methoxypropyl thioethanol amine) 1-ethyl oleic ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 674.472615705 u
Formula C36H70N2O5S2
InChI InChI=1S/C36H70N2O5S2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-35(39)43-34-36(31-40-24-4-2,32-41-25-19-27-44-29-22-37)33-42-26-20-28-45-30-23-38/h4,11-12H,2-3,5-10,13-34,37-38H2,1H3/b12-11-
InChIKey XVIXIEOWXBNZGK-QXMHVHEDSA-N
Molecular Weight 675.085 g/mol
SMILES NCCSCCCOCC(COCCCSCCN)(COC(CCCCCCC\C=C/CCCCCCCC)=O)COCC=C