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[(1H)-Pyrrole-3-propanoic acid, 2-ethoxycarbonyl-4-ethoxycarbonylmethyl]-5,5'-methylene, bis-, diethyl ester
SpectraBase Compound ID 20hJvwGao8Y
InChI InChI=1S/C33H46N2O12/c1-7-42-26(36)15-13-20-22(17-28(38)44-9-3)24(34-30(20)32(40)46-11-5)19-25-23(18-29(39)45-10-4)21(14-16-27(37)43-8-2)31(35-25)33(41)47-12-6/h34-35H,7-19H2,1-6H3
InChIKey CNHSYJNGJJDSQY-UHFFFAOYSA-N
Mol Weight 662.7 g/mol
Molecular Formula C33H46N2O12
Exact Mass 662.305075 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Ms61AvMwaG
Name
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Formula C33H46N2O12
InChI InChI=1S/C33H46N2O12/c1-7-42-26(36)15-13-20-22(17-28(38)44-9-3)24(34-30(20)32(40)46-11-5)19-25-23(18-29(39)45-10-4)21(14-16-27(37)43-8-2)31(35-25)33(41)47-12-6/h34-35H,7-19H2,1-6H3
InChIKey CNHSYJNGJJDSQY-UHFFFAOYSA-N
Molecular Weight 662.3038
SMILES [nH]1c(c(c(c1Cc1c(c(c(C(OCC)=O)[nH]1)CCC(OCC)=O)CC(OCC)=O)CC(OCC)=O)CCC(OCC)=O)C(OCC)=O
SPLASH splash10-07br-1245794000-e6b55a4a783506c6c362
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany