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3(1),5(1)-cyclo-7,13,17-trimethyl-2,8,12,18-tetraethyl-21H,23H-porphin
SpectraBase Compound ID IIa0h64CDVA
InChI InChI=1S/C33H38N4/c1-8-20-17(5)26-14-27-18(6)21(9-2)29(35-27)16-31-23(11-4)24-12-13-25(33(24)37-31)32-19(7)22(10-3)30(36-32)15-28(20)34-26/h14-16,34,37H,8-13H2,1-7H3/b26-14-,27-14-,28-15-,29-16-,30-15-,31-16-,32-25-
InChIKey RQTSNKIUOBEYKF-QOLAMTNUSA-N
Mol Weight 490.7 g/mol
Molecular Formula C33H38N4
Exact Mass 490.309647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fb1B6awa9GJ
Name 3(1),5(1)-cyclo-7,13,17-trimethyl-2,8,12,18-tetraethyl-21H,23H-porphin
Alternate Name(s) 11,17,21,26-tetraethyl-12,16,22-trimethyl-7,23,24,25-tetraazahexacyclo[18.2.1.1(5,8).1(10,13).1(15,18).0(2,6)]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23),21-undecaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H38N4
InChI InChI=1S/C33H38N4/c1-8-20-17(5)26-14-27-18(6)21(9-2)29(35-27)16-31-23(11-4)24-12-13-25(33(24)37-31)32-19(7)22(10-3)30(36-32)15-28(20)34-26/h14-16,34,37H,8-13H2,1-7H3/b26-14-,27-14-,28-15-,29-16-,30-15-,31-16-,32-25-
InChIKey RQTSNKIUOBEYKF-QOLAMTNUSA-N
Molecular Weight 490.695 g/mol
SMILES [nH]1c2c3c(c1cc1nc(cc4[nH]c(cc5nc(c2CC3)c(c5CC)C)c(c4C)CC)c(c1CC)C)CC
SPLASH splash10-0006-0000900000-8523b86bbdc62c5b8edc
Source of Spectrum HC-20-387-0
Wiley ID 1397350