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2,5-Di(methylamino)terephthalic acid 1-methylester 4-(2-mercaptoethyl)amide
SpectraBase Compound ID 4XdZESwofJa
InChI InChI=1S/C13H19N3O3S/c1-14-10-7-9(13(18)19-3)11(15-2)6-8(10)12(17)16-4-5-20/h6-7,14-15,20H,4-5H2,1-3H3,(H,16,17)
InChIKey MKYCSPSOHZGMTK-UHFFFAOYSA-N
Mol Weight 297.37 g/mol
Molecular Formula C13H19N3O3S
Exact Mass 297.114713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dgx7lS83Znu
Name 2,5-Di(methylamino)terephthalic acid 1-methylester 4-(2-mercaptoethyl)amide
Appearance Orange solid
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Exact Mass 297.114712655 u
Formula C13H19N3O3S
InChI InChI=1S/C13H19N3O3S/c1-14-10-7-9(13(18)19-3)11(15-2)6-8(10)12(17)16-4-5-20/h6-7,14-15,20H,4-5H2,1-3H3,(H,16,17)
InChIKey MKYCSPSOHZGMTK-UHFFFAOYSA-N
Instrument Name Thermo Scientific DFS
Ionization Type EI
Literature Reference DOI 10.1002/chem.201700774
Molecular Weight 297.373 g/mol
Quality 164
Reported Formula C13H19N3O3S
SMILES N(C(C=1C=C(C(=CC1NC)C(=O)OC)NC)=O)CCS
SPLASH splash10-00l2-9170000000-f94a4c8208355382cfa2
Source of Spectrum QE-23-6540-7 (DOI: 10.1002/chem.201700774)
Thin-Layer Chromatography 0.13 (SiO2, hexane/EtOAc, 1:2)
Wiley ID 1905466