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21H,23H-Porphine, 2,3,7,8,12,13,17,18-octaethyl-5-methoxy-15-nitro-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

21H,23H-Porphine, 2,3,7,8,12,13,17,18-octaethyl-5-methoxy-15-nitro-
SpectraBase Compound ID JYHHA1u173
InChI InChI=1S/C37H47N5O3/c1-10-20-24(14-5)32-36(42(43)44)33-25(15-6)21(11-2)29(39-33)19-31-23(13-4)27(17-8)35(41-31)37(45-9)34-26(16-7)22(12-3)30(40-34)18-28(20)38-32/h18-19,38,41H,10-17H2,1-9H3/b28-18-,29-19-,30-18-,31-19-,36-32+,36-33+,37-34+,37-35+
InChIKey HVUJUQAPFJFQRR-XDXFYHBNSA-N
Mol Weight 609.8 g/mol
Molecular Formula C37H47N5O3
Exact Mass 609.36789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J6v7tcFdttL
Name 21H,23H-Porphine, 2,3,7,8,12,13,17,18-octaethyl-5-methoxy-15-nitro-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 609.367890390 u
Formula C37H47N5O3
InChI InChI=1S/C37H47N5O3/c1-10-20-24(14-5)32-36(42(43)44)33-25(15-6)21(11-2)29(39-33)19-31-23(13-4)27(17-8)35(41-31)37(45-9)34-26(16-7)22(12-3)30(40-34)18-28(20)38-32/h18-19,38,41H,10-17H2,1-9H3/b28-18-,29-19-,30-18-,31-19-,36-32+,36-33+,37-34+,37-35+
InChIKey HVUJUQAPFJFQRR-XDXFYHBNSA-N
Molecular Weight 609.815 g/mol
SMILES C1(=C2NC(=CC3=NC(C(=C3CC)CC)=C(C=3NC(C=C4N=C1C(=C4CC)CC)=C(C3CC)CC)OC)C(=C2CC)CC)N(=O)=O