N-(1'-Nonyldecyl)-N'-[(hydroxycarbonyl)-1'',2''-phenylene]perylene-3,4 : 9,10-tetracarboxylic acid - 3,4 : 9,10-diimide - Optional[13C NMR] - Chemical Shifts

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

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	HXyf70LLpoF
Name	N-(1'-Nonyldecyl)-N'-[(hydroxycarbonyl)-1'',2''-phenylene]perylene-3,4 : 9,10-tetracarboxylic acid - 3,4 : 9,10-diimide
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	776.382537396 u
Formula	C50H52N2O6
InChI	InChI=1S/C50H52N2O6/c1-3-5-7-9-11-13-15-19-31(20-16-14-12-10-8-6-4-2)51-46(53)37-27-23-32-34-25-29-39-45-40(49(56)52(48(39)55)41-22-18-17-21-36(41)50(57)58)30-26-35(43(34)45)33-24-28-38(47(51)54)44(37)42(32)33/h17-18,21-31H,3-16,19-20H2,1-2H3,(H,57,58)
InChIKey	ALVWJFTYTRXKHK-UHFFFAOYSA-N
Molecular Weight	776.974 g/mol
SMILES	C1(N(C(C2=CC=C3C4=C2C1=CC=C4C1=CC=C2C(N(C(C4=CC=C3C1=C24)=O)C(CCCCCCCCC)CCCCCCCCC)=O)=O)C1=C(C(=O)O)C=CC=C1)=O