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3-(2-{CYANO-[5-METHOXY-3-(2-METHOXYCARBONYLETHYL)-4-METHOXYCARBONYLMETHYLPYRROL-2-YLIDENE]METHYL}-4-METHOXYCARBONYLMETHYL-1H-PYRROL
SpectraBase Compound ID BRH0PePklBT
InChI InChI=1S/C25H29N3O9/c1-33-19(29)8-6-15-14(10-21(31)35-3)13-27-23(15)18(12-26)24-16(7-9-20(30)34-2)17(11-22(32)36-4)25(28-24)37-5/h13,27H,6-11H2,1-5H3/b24-18+
InChIKey DHBVRLZWGLUWEY-HKOYGPOVSA-N
Mol Weight 515.52 g/mol
Molecular Formula C25H29N3O9
Exact Mass 515.19038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6saUAXh4FFm
Name 3-(2-{CYANO-[5-METHOXY-3-(2-METHOXYCARBONYLETHYL)-4-METHOXYCARBONYLMETHYLPYRROL-2-YLIDENE]METHYL}-4-METHOXYCARBONYLMETHYL-1H-PYRROL
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Formula C25H29N3O9
InChI InChI=1S/C25H29N3O9/c1-33-19(29)8-6-15-14(10-21(31)35-3)13-27-23(15)18(12-26)24-16(7-9-20(30)34-2)17(11-22(32)36-4)25(28-24)37-5/h13,27H,6-11H2,1-5H3/b24-18+
InChIKey DHBVRLZWGLUWEY-HKOYGPOVSA-N
Molecular Weight 515.1896
SMILES [nH]1c(c(c(c1)CC(OC)=O)CCC(OC)=O)\C(C#N)=C/1C(CCC(OC)=O)=C(CC(OC)=O)C(OC)=N1
SPLASH splash10-014j-8893200000-cc9afc8ea3d4561838fe
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany