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N-(1'-Nonyldecyl)-N'-[(hydroxycarbonyl)-1'',3''-phenylene]perylene-3,4 : 9,10-tetracarboxylic acid - 3,4 : 9,10-diimide
SpectraBase Compound ID 5P36TiVAi6D
InChI InChI=1S/C50H52N2O6/c1-3-5-7-9-11-13-15-19-32(20-16-14-12-10-8-6-4-2)51-46(53)38-26-22-34-36-24-28-40-45-41(49(56)52(48(40)55)33-21-17-18-31(30-33)50(57)58)29-25-37(43(36)45)35-23-27-39(47(51)54)44(38)42(34)35/h17-18,21-30,32H,3-16,19-20H2,1-2H3,(H,57,58)
InChIKey KMJIGJIGENPXJD-UHFFFAOYSA-N
Mol Weight 777.0 g/mol
Molecular Formula C50H52N2O6
Exact Mass 776.382537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FokqBIMofEN
Name N-(1'-Nonyldecyl)-N'-[(hydroxycarbonyl)-1'',3''-phenylene]perylene-3,4 : 9,10-tetracarboxylic acid - 3,4 : 9,10-diimide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H52N2O6
InChI InChI=1S/C50H52N2O6/c1-3-5-7-9-11-13-15-19-32(20-16-14-12-10-8-6-4-2)51-46(53)38-26-22-34-36-24-28-40-45-41(49(56)52(48(40)55)33-21-17-18-31(30-33)50(57)58)29-25-37(43(36)45)35-23-27-39(47(51)54)44(38)42(34)35/h17-18,21-30,32H,3-16,19-20H2,1-2H3,(H,57,58)
InChIKey KMJIGJIGENPXJD-UHFFFAOYSA-N
Molecular Weight 776.974 g/mol
SMILES OC(c1cc(N2C(c3c4c5c(c6ccc7C(=O)N(C(c8ccc(c6c78)c5cc3)=O)C(CCCCCCCCC)CCCCCCCCC)ccc4C2=O)=O)ccc1)=O
SPLASH splash10-03di-0000090100-8ece39d0b1c03b1df2d0
Source of Spectrum U1-1998-849-4
Wiley ID 751235