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N,N'-bis(1'-Hexylheptyl)-1,12-(dithia)perylene-3,4 : 9,10-bis(dicarboximide)
SpectraBase Compound ID 3ebR01T7dJy
InChI InChI=1S/C50H60N2O4S2/c1-5-9-13-17-21-31(22-18-14-10-6-2)51-47(53)35-27-25-33-34-26-28-36-42-38(50(56)52(48(36)54)32(23-19-15-11-7-3)24-20-16-12-8-4)30-40-46(44(34)42)45-39(57-58-40)29-37(49(51)55)41(35)43(33)45/h25-32H,5-24H2,1-4H3
InChIKey PYXSIJMSPIEUIG-UHFFFAOYSA-N
Mol Weight 817.2 g/mol
Molecular Formula C50H60N2O4S2
Exact Mass 816.399451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ogYjvdIIa
Name N,N'-bis(1'-Hexylheptyl)-1,12-(dithia)perylene-3,4 : 9,10-bis(dicarboximide)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H60N2O4S2
InChI InChI=1S/C50H60N2O4S2/c1-5-9-13-17-21-31(22-18-14-10-6-2)51-47(53)35-27-25-33-34-26-28-36-42-38(50(56)52(48(36)54)32(23-19-15-11-7-3)24-20-16-12-8-4)30-40-46(44(34)42)45-39(57-58-40)29-37(49(51)55)41(35)43(33)45/h25-32H,5-24H2,1-4H3
InChIKey PYXSIJMSPIEUIG-UHFFFAOYSA-N
Molecular Weight 817.160 g/mol
SMILES C1(N(C(c2c3c4c5c6c(SSc5cc13)cc1c3c6c(c4cc2)ccc3C(N(C1=O)C(CCCCCC)CCCCCC)=O)=O)C(CCCCCC)CCCCCC)=O
SPLASH splash10-0uxr-0000903050-a312dd16f16588b996e3
Source of Spectrum K1-2000-376-13
Wiley ID 749699