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

SpectraBase Compound ID	AxxrMsxFfsa
InChI	InChI=1S/C37H39NO4/c1-4-6-8-10-13-23(14-11-9-7-5-2)38-35(39)30-21-18-27-24-15-12-16-25-29(37(41)42-3)20-17-26(32(24)25)28-19-22-31(36(38)40)34(30)33(27)28/h12,15-23H,4-11,13-14H2,1-3H3
InChIKey	WSWASZPLXAONSW-UHFFFAOYSA-N Google Search
Mol Weight	561.7 g/mol
Molecular Formula	C37H39NO4
Exact Mass	561.287909 g/mol

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SpectraBase Spectrum ID	HV3xCDegSRy
Name	N-(1'-Hexylheptyl)perylene-3,4,9-tricarboxylic acid - 3,4-Imide - 9-(Methyl Ester)
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C37H39NO4
InChI	InChI=1S/C37H39NO4/c1-4-6-8-10-13-23(14-11-9-7-5-2)38-35(39)30-21-18-27-24-15-12-16-25-29(37(41)42-3)20-17-26(32(24)25)28-19-22-31(36(38)40)34(30)33(27)28/h12,15-23H,4-11,13-14H2,1-3H3
InChIKey	WSWASZPLXAONSW-UHFFFAOYSA-N
Molecular Weight	561.722 g/mol
SMILES	C1(N(C(c2c3c4c(ccc13)c1cccc3c1c(c4cc2)ccc3C(=O)OC)=O)C(CCCCCC)CCCCCC)=O
SPLASH	splash10-004i-0009040000-6cd6a18ae33a504bf36e
Source of Spectrum	K1-2001-610-8
Wiley ID	846667