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21H,23H-Porphine-2,18-dipropanoic acid, 7,12-dibromo-3,8,13,17-tetramethyl-, dimethyl ester
SpectraBase Compound ID Fblrh1RRMp0
InChI InChI=1S/C32H32Br2N4O4/c1-15-19(7-9-29(39)41-5)25-14-26-20(8-10-30(40)42-6)16(2)22(36-26)12-27-32(34)18(4)24(38-27)13-28-31(33)17(3)23(37-28)11-21(15)35-25/h11-14,36-37H,7-10H2,1-6H3/b21-11-,22-12-,23-11-,24-13-,25-14-,26-14-,27-12-,28-13-
InChIKey NGRWTUMMHAFCQY-GAKFKSTNSA-N
Mol Weight 696.4 g/mol
Molecular Formula C32H32Br2N4O4
Exact Mass 694.079032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9odb9Cv6QEK
Name 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-dibromo-3,8,13,17-tetramethyl-, dimethyl ester
Alternate Name(s) Deuteroporphyrin IX, 2,4-dibromo-, dimethyl ester 2,4-Dibromodeuteproporphyrin IX dimethyl ester Dimethyl 8,13-dibromo-3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionate Methyl 3-[10,15-dibromo-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(20),2,4,6,8,10,12,14,16,18-decaen-4-yl]propanoate NSC 18513
CAS Registry Number 5432-34-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H32Br2N4O4
InChI InChI=1S/C32H32Br2N4O4/c1-15-19(7-9-29(39)41-5)25-14-26-20(8-10-30(40)42-6)16(2)22(36-26)12-27-32(34)18(4)24(38-27)13-28-31(33)17(3)23(37-28)11-21(15)35-25/h11-14,36-37H,7-10H2,1-6H3/b21-11-,22-12-,23-11-,24-13-,25-14-,26-14-,27-12-,28-13-
InChIKey NGRWTUMMHAFCQY-GAKFKSTNSA-N
Molecular Weight 696.440 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4CCC(=O)OC)C)c(c3C)CCC(=O)OC)c(c1C)Br)Br)C
SPLASH splash10-014i-0000009000-bc9416e0420b8d4dc7a7
Source of Spectrum J-54-5572-7
Wiley ID 1414851