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1-Amino-N,N'-bis(1'-hexylheptyl)perylene-3,4 : 9,10-bis(dicarboximide)
SpectraBase Compound ID Io7WwsaJzK1
InChI InChI=1S/C50H63N3O4/c1-5-9-13-17-21-32(22-18-14-10-6-2)52-47(54)37-28-25-34-35-26-29-39-44-40(31-41(51)45(46(35)44)36-27-30-38(48(52)55)43(37)42(34)36)50(57)53(49(39)56)33(23-19-15-11-7-3)24-20-16-12-8-4/h25-33H,5-24,51H2,1-4H3
InChIKey DVGCEYKIQKRUOY-UHFFFAOYSA-N
Mol Weight 770.1 g/mol
Molecular Formula C50H63N3O4
Exact Mass 769.481858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C8YmOWYqskN
Name 1-Amino-N,N'-bis(1'-hexylheptyl)perylene-3,4 : 9,10-bis(dicarboximide)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H63N3O4
InChI InChI=1S/C50H63N3O4/c1-5-9-13-17-21-32(22-18-14-10-6-2)52-47(54)37-28-25-34-35-26-29-39-44-40(31-41(51)45(46(35)44)36-27-30-38(48(52)55)43(37)42(34)36)50(57)53(49(39)56)33(23-19-15-11-7-3)24-20-16-12-8-4/h25-33H,5-24,51H2,1-4H3
InChIKey DVGCEYKIQKRUOY-UHFFFAOYSA-N
Molecular Weight 770.071 g/mol
SMILES Nc1cc2C(N(C(c3c2c2c1c1ccc4C(=O)N(C(c5ccc(c1c45)c2cc3)=O)C(CCCCCC)CCCCCC)=O)C(CCCCCC)CCCCCC)=O
SPLASH splash10-0a4i-0000920700-cd1a74cca793cff011d4
Source of Spectrum K1-2000-374-9
Wiley ID 749707