For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-[Bis(nitromethyl)methyl]-5,10,15,20-tetraphenylporphyrin
SpectraBase Compound ID GEiEykqygkl
InChI InChI=1S/C47H34N6O4/c54-52(55)28-34(29-53(56)57)35-27-42-45(32-17-9-3-10-18-32)40-24-23-38(49-40)43(30-13-5-1-6-14-30)36-21-22-37(48-36)44(31-15-7-2-8-16-31)39-25-26-41(50-39)46(47(35)51-42)33-19-11-4-12-20-33/h1-27,34,48,51H,28-29H2/b43-36-,43-38-,44-37-,44-39-,45-40-,45-42-,46-41-,47-46-
InChIKey KPVOPCGUZFFSSQ-LQTONPHTSA-N
Mol Weight 746.8 g/mol
Molecular Formula C47H34N6O4
Exact Mass 746.264154 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6GbSoMuKoWQ
Name 2-[Bis(nitromethyl)methyl]-5,10,15,20-tetraphenylporphyrin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C47H34N6O4
InChI InChI=1S/C47H34N6O4/c54-52(55)28-34(29-53(56)57)35-27-42-45(32-17-9-3-10-18-32)40-24-23-38(49-40)43(30-13-5-1-6-14-30)36-21-22-37(48-36)44(31-15-7-2-8-16-31)39-25-26-41(50-39)46(47(35)51-42)33-19-11-4-12-20-33/h1-27,34,48,51H,28-29H2/b43-36-,43-38-,44-37-,44-39-,45-40-,45-42-,46-41-,47-46-
InChIKey KPVOPCGUZFFSSQ-LQTONPHTSA-N
Molecular Weight 746.827 g/mol
SMILES [nH]1c2c(cc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2ccccc2)cc4)-c2ccccc2)cc3)-c2ccccc2)cc1)-c1ccccc1)C(CN(=O)=O)CN(=O)=O
SPLASH splash10-0002-0000002900-27a42a4f3c80641dfc61
Source of Spectrum HC-21-779-0
Synonyms 4-[2-nitro-1-(nitromethyl)ethyl]-2,7,12,17-tetraphenyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
Wiley ID 1416251