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21H,23H-Porphine-2,18-dipropanoic acid, 8-acetyl-3,7,12,17-tetramethyl-, dimethyl ester
SpectraBase Compound ID CJkewkQZMKm
InChI InChI=1S/C34H36N4O5/c1-17-12-22-13-26-18(2)23(8-10-32(40)42-6)29(36-26)16-30-24(9-11-33(41)43-7)19(3)27(37-30)15-28-20(4)34(21(5)39)31(38-28)14-25(17)35-22/h12-16,35,37H,8-11H2,1-7H3/b22-13-,25-14-,26-13-,27-15-,28-15-,29-16-,30-16-,31-14-
InChIKey VMTLFNGSASNRDO-YFDVIUBFSA-N
Mol Weight 580.7 g/mol
Molecular Formula C34H36N4O5
Exact Mass 580.26857 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GO7Q75VYAKb
Name 21H,23H-Porphine-2,18-dipropanoic acid, 8-acetyl-3,7,12,17-tetramethyl-, dimethyl ester
CAS Registry Number 13003-76-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H36N4O5
InChI InChI=1S/C34H36N4O5/c1-17-12-22-13-26-18(2)23(8-10-32(40)42-6)29(36-26)16-30-24(9-11-33(41)43-7)19(3)27(37-30)15-28-20(4)34(21(5)39)31(38-28)14-25(17)35-22/h12-16,35,37H,8-11H2,1-7H3/b22-13-,25-14-,26-13-,27-15-,28-15-,29-16-,30-16-,31-14-
InChIKey VMTLFNGSASNRDO-YFDVIUBFSA-N
Molecular Weight 580.685 g/mol
SMILES [nH]1c2cc(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4CCC(=O)OC)C)c(c3C)CCC(=O)OC)c(c1C(=O)C)C)C
SPLASH splash10-001i-0000090000-6689c3497140cd54798b
Source of Spectrum C-105-6642-0
Synonyms 2-Acetyldeuteroporphyrin IX dimethyl ester Dimethyl ester of 2-acetyldeuteroporphyrin IX
Wiley ID 1408513