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3-Acetyl-8-(1-methoxyethyl)deuteroporphyrin-ix dimethyl ester
SpectraBase Compound ID EYR5lqYyIth
InChI InChI=1S/C37H42N4O6/c1-18-24(10-12-34(43)46-8)30-17-31-25(11-13-35(44)47-9)19(2)27(39-31)15-33-37(23(6)45-7)21(4)29(41-33)16-32-36(22(5)42)20(3)28(40-32)14-26(18)38-30/h14-17,23,39-40H,10-13H2,1-9H3/b26-14-,27-15-,28-14-,29-16-,30-17-,31-17-,32-16-,33-15-
InChIKey AERZYQZERGCTNS-ADERSKLESA-N
Mol Weight 638.8 g/mol
Molecular Formula C37H42N4O6
Exact Mass 638.310435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ZNLcuVrCZo
Name 3-ACETYL-8-(1-METHOXYETHYL)-DEUTEROPORPHYRIN-IX-DIMETHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C37H42N4O6
InChI InChI=1S/C37H42N4O6/c1-18-24(10-12-34(43)46-8)30-17-31-25(11-13-35(44)47-9)19(2)27(39-31)15-33-37(23(6)45-7)21(4)29(41-33)16-32-36(22(5)42)20(3)28(40-32)14-26(18)38-30/h14-17,23,39-40H,10-13H2,1-9H3/b26-14-,27-15-,28-14-,29-16-,30-17-,31-17-,32-16-,33-15-
InChIKey AERZYQZERGCTNS-ADERSKLESA-N
Molecular Weight 638.3094
SMILES [nH]1c2c(c(c1cc1nc(cc3c(c(c(cc4c(c(c(c2)n4)C)C(OC)C)[nH]3)C)CCC(OC)=O)c(c1C)CCC(OC)=O)C)C(C)=O
SPLASH splash10-000i-1000019000-f69f73929cac37b6c329
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany