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4,7-bis(1-pyrrolidinyl)-5,5a,6,10a-tetrahydroheptalene-2,3,8,9-tetracarboxylic acid tetramethyl ester
SpectraBase Compound ID Cq6ULuQTI7z
InChI InChI=1S/C28H36N2O8/c1-35-25(31)19-13-17-14-20(26(32)36-2)24(28(34)38-4)22(30-11-7-8-12-30)16-18(17)15-21(23(19)27(33)37-3)29-9-5-6-10-29/h13-14,17-18H,5-12,15-16H2,1-4H3
InChIKey OALADEWHNLLACG-UHFFFAOYSA-N
Mol Weight 528.6 g/mol
Molecular Formula C28H36N2O8
Exact Mass 528.247166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1B8GYVLyddu
Name 4,7-bis(1-pyrrolidinyl)-5,5a,6,10a-tetrahydroheptalene-2,3,8,9-tetracarboxylic acid tetramethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36N2O8
InChI InChI=1S/C28H36N2O8/c1-35-25(31)19-13-17-14-20(26(32)36-2)24(28(34)38-4)22(30-11-7-8-12-30)16-18(17)15-21(23(19)27(33)37-3)29-9-5-6-10-29/h13-14,17-18H,5-12,15-16H2,1-4H3
InChIKey OALADEWHNLLACG-UHFFFAOYSA-N
Molecular Weight 528.602 g/mol
SMILES C=1(C(=CC2C=C(C(=O)OC)C(=C(CC2CC1N1CCCC1)N1CCCC1)C(=O)OC)C(=O)OC)C(=O)OC
SPLASH splash10-016s-1010950000-da8a1dca4bbadb9673dd
Source of Spectrum U1-1999-3137-7
Synonyms 4,7-Dipyrrolidino-5,5a,6,10a-tetrahydroheptalene-2,3,8,9-tetracarboxylic acid tetramethyl ester Tetramethyl 4,7-dipyrrolidin-1-yl-5,5a,6,10a-tetrahydroheptalene-2,3,8,9-tetracarboxylate
Wiley ID 753327