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2-Formamido-3-nitro-5,10,15,20-tetraphenylporphyrin

View entire compound with spectra: 1 MS (GC)

2-Formamido-3-nitro-5,10,15,20-tetraphenylporphyrin
SpectraBase Compound ID 7Iv5Naf9g1x
InChI InChI=1S/C45H30N6O3/c52-27-46-44-42-40(30-17-9-3-10-18-30)36-25-23-34(48-36)38(28-13-5-1-6-14-28)32-21-22-33(47-32)39(29-15-7-2-8-16-29)35-24-26-37(49-35)41(31-19-11-4-12-20-31)43(50-42)45(44)51(53)54/h1-27,47,50H,(H,46,52)/b38-32-,38-34-,39-33-,39-35-,40-36-,41-37-,42-40-,43-41-
InChIKey ROCJRRYWYGFYJW-LENQWZQXSA-N
Mol Weight 702.8 g/mol
Molecular Formula C45H30N6O3
Exact Mass 702.237939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6TWpR5wHEU9
Name 2-Formamido-3-nitro-5,10,15,20-tetraphenylporphyrin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H30N6O3
InChI InChI=1S/C45H30N6O3/c52-27-46-44-42-40(30-17-9-3-10-18-30)36-25-23-34(48-36)38(28-13-5-1-6-14-28)32-21-22-33(47-32)39(29-15-7-2-8-16-29)35-24-26-37(49-35)41(31-19-11-4-12-20-31)43(50-42)45(44)51(53)54/h1-27,47,50H,(H,46,52)/b38-32-,38-34-,39-33-,39-35-,40-36-,41-37-,42-40-,43-41-
InChIKey ROCJRRYWYGFYJW-LENQWZQXSA-N
Molecular Weight 702.774 g/mol
SMILES [nH]1c2c(c(c1c(c1nc(c(c3ccc(c(c4nc(c2-c2ccccc2)cc4)-c2ccccc2)[nH]3)-c2ccccc2)cc1)-c1ccccc1)[N+]([O-])=O)NC=O
SPLASH splash10-052f-0000009200-00ebf4cc9e5169522b68
Source of Spectrum KC-0-2683-25
Wiley ID 786667