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1-Bromo-N,N'-bis(1'-hexylheptyl)perylene-3,4 : 9,10-bis(dicarboximide)
SpectraBase Compound ID m323Ra8UXq
InChI InChI=1S/C50H61BrN2O4/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,5-24H2,1-4H3
InChIKey MRCBIVBDVSDDKY-UHFFFAOYSA-N
Mol Weight 834.0 g/mol
Molecular Formula C50H61BrN2O4
Exact Mass 832.381471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3FRQZCpwS1u
Name 1-Bromo-N,N'-bis(1'-hexylheptyl)perylene-3,4 : 9,10-bis(dicarboximide)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H61BrN2O4
InChI InChI=1S/C50H61BrN2O4/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,5-24H2,1-4H3
InChIKey MRCBIVBDVSDDKY-UHFFFAOYSA-N
Molecular Weight 833.952 g/mol
SMILES C1(N(C(c2c3c4c(c(cc13)Br)c1ccc3c5c1c(c4cc2)ccc5C(N(C3=O)C(CCCCCC)CCCCCC)=O)=O)C(CCCCCC)CCCCCC)=O
SPLASH splash10-0f8c-0006634490-29b586a4fa961647280c
Source of Spectrum K1-2000-373-8
Wiley ID 749708