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1,3,5,8-tetramethyl-4,6-diethyl-7-[.gamma.-hydroxypropyl]porphyrin
SpectraBase Compound ID GqBWjvbmKOr
InChI InChI=1S/C31H36N4O/c1-7-22-18(4)26-13-21-12-17(3)25(32-21)14-27-20(6)24(10-9-11-36)31(35-27)16-30-23(8-2)19(5)28(34-30)15-29(22)33-26/h12-16,32,34,36H,7-11H2,1-6H3/b21-13-,25-14-,26-13-,27-14-,28-15-,29-15-,30-16-,31-16-
InChIKey LBIMASGHBOOCSN-VQDBFEGNSA-N
Mol Weight 480.7 g/mol
Molecular Formula C31H36N4O
Exact Mass 480.288912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 83M8poiJtLR
Name 1,3,5,8-tetramethyl-4,6-diethyl-7-[.gamma.-hydroxypropyl]porphyrin
Alternate Name(s) 3-[15,20-diethyl-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(24),4,6,8,10,12,14,16(22),17,19-undecaen-4-yl]-1-propanol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H36N4O
InChI InChI=1S/C31H36N4O/c1-7-22-18(4)26-13-21-12-17(3)25(32-21)14-27-20(6)24(10-9-11-36)31(35-27)16-30-23(8-2)19(5)28(34-30)15-29(22)33-26/h12-16,32,34,36H,7-11H2,1-6H3/b21-13-,25-14-,26-13-,27-14-,28-15-,29-15-,30-16-,31-16-
InChIKey LBIMASGHBOOCSN-VQDBFEGNSA-N
Molecular Weight 480.656 g/mol
SMILES [nH]1c2cc3nc(c(c3CCCO)C)cc3c(cc(cc4nc(cc1c(c2CC)C)c(c4C)CC)[nH]3)C
SPLASH splash10-001i-0000900000-458d716993a313e8a418
Source of Spectrum HC-11-1390-0
Wiley ID 1395305