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3,6-bis(t-Butyl)-4-(10',15',20'-triphenylporphyrin-5'-yl)-1,2-benzoquinone

View entire compound with spectra: 1 MS (GC)

3,6-bis(t-Butyl)-4-(10',15',20'-triphenylporphyrin-5'-yl)-1,2-benzoquinone
SpectraBase Compound ID GkxYPZsU9mx
InChI InChI=1S/C52H44N4O2/c1-51(2,3)35-30-34(48(52(4,5)6)50(58)49(35)57)47-42-28-26-40(55-42)45(32-18-12-8-13-19-32)38-24-22-36(53-38)44(31-16-10-7-11-17-31)37-23-25-39(54-37)46(33-20-14-9-15-21-33)41-27-29-43(47)56-41/h7-30,53,56H,1-6H3/b44-36-,44-37-,45-38-,45-40-,46-39-,46-41-,47-42-,47-43-
InChIKey LRAZXCCQQVIKRE-ZQANTMHOSA-N
Mol Weight 756.9 g/mol
Molecular Formula C52H44N4O2
Exact Mass 756.346427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BkTixG6k0Lj
Name 3,6-bis(t-Butyl)-4-(10',15',20'-triphenylporphyrin-5'-yl)-1,2-benzoquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C52H44N4O2
InChI InChI=1S/C52H44N4O2/c1-51(2,3)35-30-34(48(52(4,5)6)50(58)49(35)57)47-42-28-26-40(55-42)45(32-18-12-8-13-19-32)38-24-22-36(53-38)44(31-16-10-7-11-17-31)37-23-25-39(54-37)46(33-20-14-9-15-21-33)41-27-29-43(47)56-41/h7-30,53,56H,1-6H3/b44-36-,44-37-,45-38-,45-40-,46-39-,46-41-,47-42-,47-43-
InChIKey LRAZXCCQQVIKRE-ZQANTMHOSA-N
Molecular Weight 756.950 g/mol
SMILES [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2ccccc2)cc4)C2=C(C(=O)C(C(=C2)C(C)(C)C)=O)C(C)(C)C)cc3)-c2ccccc2)cc1)-c1ccccc1
SPLASH splash10-0a4i-0700005900-67387768bda1034c10d0
Source of Spectrum K1-2000-2310-1
Wiley ID 750471