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Dimethyl 3,3'-(3",4"-dinitro-2",5"-thiophenyldiyl)dithio-bis(propanoate)
SpectraBase Compound ID GGJRsVmPiJ6
InChI InChI=1S/C12H14N2O8S3/c1-21-7(15)3-5-23-11-9(13(17)18)10(14(19)20)12(25-11)24-6-4-8(16)22-2/h3-6H2,1-2H3
InChIKey CIXRSSUVUXACPH-UHFFFAOYSA-N
Mol Weight 410.43 g/mol
Molecular Formula C12H14N2O8S3
Exact Mass 409.991229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GnoArzFeEsm
Name Dimethyl 3,3'-(3",4"-dinitro-2",5"-thiophenyldiyl)dithio-bis(propanoate)
Alternate Name(s) Dimethyl 3,3'-(3'',4''-dinitro-2'',5''-thiophenyldiyl)dithio-bis(propanoate)
Comments Less than 3 mono-isotopic peaks
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Formula C12H14N2O8S3
InChI InChI=1S/C12H14N2O8S3/c1-21-7(15)3-5-23-11-9(13(17)18)10(14(19)20)12(25-11)24-6-4-8(16)22-2/h3-6H2,1-2H3
InChIKey CIXRSSUVUXACPH-UHFFFAOYSA-N
Molecular Weight 410.430 g/mol
SMILES c1(c(c(SCCC(=O)OC)sc1SCCC(=O)OC)N(=O)=O)N(=O)=O
SPLASH splash10-03di-9000200000-9ae6b09f0cae484146a5
Source of Spectrum AH-129-685-16
Wiley ID 770545