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Tert-butyl ester of rac.(Z)-2,3,4,5-tetrahydro-3-methoxycarbonylmethylene-4,4,1',3',4'-pentamethyl-5-oxo-2,2'-dipyrrylmethene-5'-carboxylic acid

View entire compound with spectra: 1 NMR, and 2 MS (GC)

Tert-butyl ester of rac.(Z)-2,3,4,5-tetrahydro-3-methoxycarbonylmethylene-4,4,1',3',4'-pentamethyl-5-oxo-2,2'-dipyrrylmethene-5'-carboxylic acid
SpectraBase Compound ID 4rUIhUKtfkn
InChI InChI=1S/C22H32N2O5/c1-12-13(2)18(19(26)29-21(3,4)5)24(8)16(12)11-15-14(10-17(25)28-9)22(6,7)20(27)23-15/h11,14H,10H2,1-9H3,(H,23,27)/b15-11-
InChIKey FJTQTOMGLRKKLM-PTNGSMBKSA-N
Mol Weight 404.5 g/mol
Molecular Formula C22H32N2O5
Exact Mass 404.231122 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IBmWYkhLKwl
Name Tert-butyl ester of rac.(Z)-2,3,4,5-tetrahydro-3-methoxycarbonylmethylene-4,4,1',3',4'-pentamethyl-5-oxo-2,2'-dipyrrylmethene-5'-carboxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.231122133 u
Formula C22H32N2O5
InChI InChI=1S/C22H32N2O5/c1-12-13(2)18(19(26)29-21(3,4)5)24(8)16(12)11-15-14(10-17(25)28-9)22(6,7)20(27)23-15/h11,14H,10H2,1-9H3,(H,23,27)/b15-11-
InChIKey FJTQTOMGLRKKLM-PTNGSMBKSA-N
Molecular Weight 404.507 g/mol
SMILES C=1(N(C(C(OC(C)(C)C)=O)=C(C1C)C)C)\C=C\1NC(=O)C(C1CC(=O)OC)(C)C