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1,4-Bis{[4-(3-methoxycarbonyl-4-oxotetrahydro-3-thienyl)methyl-[1,2,3]triazole-1-yl]methyl}benzene
SpectraBase Compound ID 4Oe0x0h41vD
InChI InChI=1S/C26H28N6O6S2/c1-37-23(35)25(15-39-13-21(25)33)7-19-11-31(29-27-19)9-17-3-5-18(6-4-17)10-32-12-20(28-30-32)8-26(24(36)38-2)16-40-14-22(26)34/h3-6,11-12H,7-10,13-16H2,1-2H3
InChIKey CCFAPTDUUHJETR-UHFFFAOYSA-N
Mol Weight 584.67 g/mol
Molecular Formula C26H28N6O6S2
Exact Mass 584.151175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IjhxJJCSdCQ
Name 1,4-Bis{[4-(3-methoxycarbonyl-4-oxotetrahydro-3-thienyl)methyl-[1,2,3]triazole-1-yl]methyl}benzene
Alternate Name(s) Dimethyl 3,3'-((1,1'-(1,4-phenylenebis(methylene))bis(1H-1,2,3-triazole-4,1-diyl))bis(methylene))bis(4-oxotetrahydrothiophene-3-carboxylate)
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Formula C26H28N6O6S2
InChI InChI=1S/C26H28N6O6S2/c1-37-23(35)25(15-39-13-21(25)33)7-19-11-31(29-27-19)9-17-3-5-18(6-4-17)10-32-12-20(28-30-32)8-26(24(36)38-2)16-40-14-22(26)34/h3-6,11-12H,7-10,13-16H2,1-2H3
InChIKey CCFAPTDUUHJETR-UHFFFAOYSA-N
Molecular Weight 584.666 g/mol
SMILES C1(C(=O)OC)(C(=O)CSC1)Cc1nn[n](c1)Cc1ccc(C[n]2nnc(c2)CC2(C(=O)OC)C(=O)CSC2)cc1
SPLASH splash10-0pbc-3900130000-ae586559ea6ec4816417
Source of Spectrum F-69-807-12a
Wiley ID 1737479