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2-(2-Chloroethyl)-4-ethyl-6-methoxycarbonyl-7-(3-methoxycarbonylpropyl)-1,3,5,8-tetramethylporphyrin

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

2-(2-Chloroethyl)-4-ethyl-6-methoxycarbonyl-7-(3-methoxycarbonylpropyl)-1,3,5,8-tetramethylporphyrin
SpectraBase Compound ID 1i1d41DKuWs
InChI InChI=1S/C35H39ClN4O4/c1-9-22-17(2)25-15-30-33(21(6)36)19(4)26(39-30)13-24-18(3)23(11-10-12-32(41)43-7)29(38-24)16-31-34(35(42)44-8)20(5)27(40-31)14-28(22)37-25/h13-16,21,37-38H,9-12H2,1-8H3/b24-13-,25-15-,26-13-,27-14-,28-14-,29-16-,30-15-,31-16-
InChIKey SQHOXDZMPDGPBH-FYLSPHMBSA-N
Mol Weight 615.2 g/mol
Molecular Formula C35H39ClN4O4
Exact Mass 614.265983 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FArg6cDJtA7
Name 2-(2-Chloroethyl)-4-ethyl-6-methoxycarbonyl-7-(3-methoxycarbonylpropyl)-1,3,5,8-tetramethylporphyrin
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 614.265983448 u
Formula C35H39ClN4O4
InChI InChI=1S/C35H39ClN4O4/c1-9-22-17(2)25-15-30-33(21(6)36)19(4)26(39-30)13-24-18(3)23(11-10-12-32(41)43-7)29(38-24)16-31-34(35(42)44-8)20(5)27(40-31)14-28(22)37-25/h13-16,21,37-38H,9-12H2,1-8H3/b24-13-,25-15-,26-13-,27-14-,28-14-,29-16-,30-15-,31-16-
InChIKey SQHOXDZMPDGPBH-FYLSPHMBSA-N
Molecular Weight 615.174 g/mol
SMILES C=1(C2=NC(C1C)=CC=1NC(C=C3C(C(Cl)C)=C(C(C=C4NC(=C2)C(=C4C)CCCC(=O)OC)=N3)C)=C(C1CC)C)C(=O)OC