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3-Thiazolebutanamide, 5-[1,3-benzodioxol-5-ylmethylidene]-N-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]dihydro-N-methyl-4-oxo-2-thioxo-, (5S)-
SpectraBase Compound ID CnuX19GgcxC
InChI InChI=1S/C27H26N2O8S2/c1-28(9-7-17-12-21-25(37-15-36-21)24(33-2)18(17)13-30)23(31)4-3-8-29-26(32)22(39-27(29)38)11-16-5-6-19-20(10-16)35-14-34-19/h5-6,10-13H,3-4,7-9,14-15H2,1-2H3/b22-11-
InChIKey AQGARXMJRRGCLE-JJFYIABZSA-N
Mol Weight 570.63 g/mol
Molecular Formula C27H26N2O8S2
Exact Mass 570.113058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LllMdvclOc2
Name 3-Thiazolebutanamide, 5-[1,3-benzodioxol-5-ylmethylidene]-N-[2-(6-formyl-7-methoxy-1,3-benzodioxol-5-yl)ethyl]dihydro-N-methyl-4-oxo-2-thioxo-, (5S)-
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Formula C27H26N2O8S2
InChI InChI=1S/C27H26N2O8S2/c1-28(9-7-17-12-21-25(37-15-36-21)24(33-2)18(17)13-30)23(31)4-3-8-29-26(32)22(39-27(29)38)11-16-5-6-19-20(10-16)35-14-34-19/h5-6,10-13H,3-4,7-9,14-15H2,1-2H3/b22-11-
InChIKey AQGARXMJRRGCLE-JJFYIABZSA-N
Molecular Weight 570.631 g/mol
SMILES COc1c(c(CCN(C(CCCN2C(S\C(C2=O)=C\c2cc3OCOc3cc2)=S)=O)C)cc2c1OCO2)C=O
SPLASH splash10-004i-3945000000-0e1db80e671795880c12
Source of Spectrum IY-1-4605-6
Wiley ID 1654039