N-[(Hydroxycarbonyl)decamethylene]perylene-3,4 -dicarboxylic acid - 3,4-imide - Optional[13C NMR] - Chemical Shifts

SpectraBase Compound ID	2XTZhH5XIuW
InChI	InChI=1S/C33H31NO4/c35-28(36)15-7-5-3-1-2-4-6-8-20-34-32(37)26-18-16-24-22-13-9-11-21-12-10-14-23(29(21)22)25-17-19-27(33(34)38)31(26)30(24)25/h9-14,16-19H,1-8,15,20H2,(H,35,36)
InChIKey	OCFLJXNDWCXPBE-UHFFFAOYSA-N Google Search
Mol Weight	505.6 g/mol
Molecular Formula	C33H31NO4
Exact Mass	505.225308 g/mol

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SpectraBase Spectrum ID	6HwWlpqQq0s
Name	N-[(Hydroxycarbonyl)decamethylene]perylene-3,4 -dicarboxylic acid - 3,4-imide
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	505.225308478 u
Formula	C33H31NO4
InChI	InChI=1S/C33H31NO4/c35-28(36)15-7-5-3-1-2-4-6-8-20-34-32(37)26-18-16-24-22-13-9-11-21-12-10-14-23(29(21)22)25-17-19-27(33(34)38)31(26)30(24)25/h9-14,16-19H,1-8,15,20H2,(H,35,36)
InChIKey	OCFLJXNDWCXPBE-UHFFFAOYSA-N
Molecular Weight	505.614 g/mol
SMILES	C1(N(C(C2=C3C=4C(=CC=C13)C1=CC=CC=3C1=C(C4C=C2)C=CC3)=O)CCCCCCCCCCC(=O)O)=O