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N-Amino-N'-(1-nonyldecyl)perylene-3,4:9,10-tetracarboxylic bisimide
SpectraBase Compound ID 50fcJWtxdQ4
InChI InChI=1S/C43H49N3O4/c1-3-5-7-9-11-13-15-17-27(18-16-14-12-10-8-6-4-2)45-40(47)32-23-19-28-30-21-25-34-39-35(43(50)46(44)42(34)49)26-22-31(37(30)39)29-20-24-33(41(45)48)38(32)36(28)29/h19-27H,3-18,44H2,1-2H3
InChIKey XVHBHHMCRKYIAU-UHFFFAOYSA-N
Mol Weight 671.9 g/mol
Molecular Formula C43H49N3O4
Exact Mass 671.372307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ImCmuFgrvad
Name N-Amino-N'-(1-nonyldecyl)perylene-3,4:9,10-tetracarboxylic bisimide
Alternate Name(s) 2-Amino-9-(1-nonyldecyl)isoquino[6',5',4':10,5,6]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H49N3O4
InChI InChI=1S/C43H49N3O4/c1-3-5-7-9-11-13-15-17-27(18-16-14-12-10-8-6-4-2)45-40(47)32-23-19-28-30-21-25-34-39-35(43(50)46(44)42(34)49)26-22-31(37(30)39)29-20-24-33(41(45)48)38(32)36(28)29/h19-27H,3-18,44H2,1-2H3
InChIKey XVHBHHMCRKYIAU-UHFFFAOYSA-N
Molecular Weight 671.882 g/mol
SMILES NN1C(c2ccc3c4c2c(C1=O)ccc4c1c2c4c(C(N(C(c4cc1)=O)C(CCCCCCCCC)CCCCCCCCC)=O)ccc32)=O
SPLASH splash10-0a4i-0003902000-6a7bc30b7c5a8c359457
Source of Spectrum QE-4-2112-6
Wiley ID 843777