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21H,23H-Porphine-2,18-dipropanoic acid, 8-(2-chloroethyl)-13-formyl-3,7,12,17-tetramethyl-, dimethyl ester
SpectraBase Compound ID CuTEQ7LHS1n
InChI InChI=1S/C35H37ClN4O5/c1-18-22(7-9-34(42)44-5)31-16-32-23(8-10-35(43)45-6)19(2)28(39-32)15-33-25(17-41)21(4)29(40-33)14-30-24(11-12-36)20(3)27(37-30)13-26(18)38-31/h13-17,38,40H,7-12H2,1-6H3/b26-13-,27-13-,28-15-,29-14-,30-14-,31-16-,32-16-,33-15-
InChIKey QRFZBXBPSXBCKU-NBLLDXTRSA-N
Mol Weight 629.2 g/mol
Molecular Formula C35H37ClN4O5
Exact Mass 628.245248 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8lFwX1KhzX5
Name 21H,23H-Porphine-2,18-dipropanoic acid, 8-(2-chloroethyl)-13-formyl-3,7,12,17-tetramethyl-, dimethyl ester
CAS Registry Number 58684-44-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H37ClN4O5
InChI InChI=1S/C35H37ClN4O5/c1-18-22(7-9-34(42)44-5)31-16-32-23(8-10-35(43)45-6)19(2)28(39-32)15-33-25(17-41)21(4)29(40-33)14-30-24(11-12-36)20(3)27(37-30)13-26(18)38-31/h13-17,38,40H,7-12H2,1-6H3/b26-13-,27-13-,28-15-,29-14-,30-14-,31-16-,32-16-,33-15-
InChIKey QRFZBXBPSXBCKU-NBLLDXTRSA-N
Molecular Weight 629.157 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4CCC(=O)OC)C)c(c3C)CCC(=O)OC)c(c1CCCl)C)C)C=O
SPLASH splash10-0udi-9000002000-aaba3e55ee07664afe38
Source of Spectrum KC-1976-2505-0
Synonyms 2-(2-Chloroethyl)-4-formyl-6,7-bis-(2-methoxycarbonylethyl)-1,3,5,8-tetramethylporphin Methyl 3-[10-(2-chloroethyl)-15-formyl-20-(3-methoxy-3-oxopropyl)-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-4-yl]propanoate
Wiley ID 1411996