N-(1'-Nonyldecyl)-N'-[(hydroxycarbonyl)-1'',2''-phenylene]perylene-3,4 : 9,10-tetracarboxylic acid - 3,4 : 9,10-diimide - Optional[MS (GC)] - Spectrum

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	9usg6QatDcd
Name	N-(1'-Nonyldecyl)-N'-[(hydroxycarbonyl)-1'',2''-phenylene]perylene-3,4 : 9,10-tetracarboxylic acid - 3,4 : 9,10-diimide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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	OC(c1c(N2C(c3c4c5c(c6ccc7C(=O)N(C(c8ccc(c6c78)c5cc3)=O)C(CCCCCCCCC)CCCCCCCCC)ccc4C2=O)=O)cccc1)=O
SPLASH	splash10-03di-0000490300-b7e2caafc2a2aae7d55d
Source of Spectrum	U1-1998-849-4
Wiley ID	751234