N-(1'-Hexylheptyl)perylene-3,4,9-tricarboxylic acid - 3,4-Imide - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	18ZflRWzq4v
InChI	InChI=1S/C36H37NO4/c1-3-5-7-9-12-22(13-10-8-6-4-2)37-34(38)29-20-17-26-23-14-11-15-24-28(36(40)41)19-16-25(31(23)24)27-18-21-30(35(37)39)33(29)32(26)27/h11,14-22H,3-10,12-13H2,1-2H3,(H,40,41)
InChIKey	PSAWMDGNDYENPM-UHFFFAOYSA-N Google Search
Mol Weight	547.7 g/mol
Molecular Formula	C36H37NO4
Exact Mass	547.272259 g/mol

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SpectraBase Spectrum ID	Kf0S7pBUyFq
Name	N-(1'-Hexylheptyl)perylene-3,4,9-tricarboxylic acid - 3,4-Imide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C36H37NO4
InChI	InChI=1S/C36H37NO4/c1-3-5-7-9-12-22(13-10-8-6-4-2)37-34(38)29-20-17-26-23-14-11-15-24-28(36(40)41)19-16-25(31(23)24)27-18-21-30(35(37)39)33(29)32(26)27/h11,14-22H,3-10,12-13H2,1-2H3,(H,40,41)
InChIKey	PSAWMDGNDYENPM-UHFFFAOYSA-N
Molecular Weight	547.695 g/mol
SMILES	OC(c1ccc2c3c1cccc3c1c3c4c(C(N(C(c4cc1)=O)C(CCCCCC)CCCCCC)=O)ccc23)=O
SPLASH	splash10-014i-2009020000-460910e18fcacfbecb1e
Source of Spectrum	K1-2001-609-2
Wiley ID	846672