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Dimethyl 3,3'-(3",4"-diamino-2",5"-thiophenyldiyl)dithio-bis(propanoate)
SpectraBase Compound ID FiW2q6FZea7
InChI InChI=1S/C12H18N2O4S3/c1-17-7(15)3-5-19-11-9(13)10(14)12(21-11)20-6-4-8(16)18-2/h3-6,13-14H2,1-2H3
InChIKey CBRRELMPPVCNLS-UHFFFAOYSA-N
Mol Weight 350.47 g/mol
Molecular Formula C12H18N2O4S3
Exact Mass 350.042871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2q0xbVw0wAH
Name Dimethyl 3,3'-(3",4"-diamino-2",5"-thiophenyldiyl)dithio-bis(propanoate)
Comments Less than 3 mono-isotopic peaks
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Formula C12H18N2O4S3
InChI InChI=1S/C12H18N2O4S3/c1-17-7(15)3-5-19-11-9(13)10(14)12(21-11)20-6-4-8(16)18-2/h3-6,13-14H2,1-2H3
InChIKey CBRRELMPPVCNLS-UHFFFAOYSA-N
Molecular Weight 350.466 g/mol
SMILES Nc1c(c(sc1SCCC(=O)OC)SCCC(=O)OC)N
SPLASH splash10-0ik9-0097000000-097dcfb4c8961035148e
Source of Spectrum AH-129-685-18
Wiley ID 770543