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

SpectraBase Compound ID	EaR0qRHC5jl
InChI	InChI=1S/C42H49NO4/c1-3-5-7-9-11-13-15-18-28(19-16-14-12-10-8-6-4-2)43-40(44)35-26-23-32-29-20-17-21-30-34(42(46)47)25-22-31(37(29)30)33-24-27-36(41(43)45)39(35)38(32)33/h17,20-28H,3-16,18-19H2,1-2H3,(H,46,47)
InChIKey	XPBWEHSYVYUXBQ-UHFFFAOYSA-N Google Search
Mol Weight	631.9 g/mol
Molecular Formula	C42H49NO4
Exact Mass	631.366159 g/mol

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SpectraBase Spectrum ID	2M4LnBI372
Name	N-(1'-Nonyldecyl)perylene-3,4,9-tricarboxylic acid - 3,4-Imide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C42H49NO4
InChI	InChI=1S/C42H49NO4/c1-3-5-7-9-11-13-15-18-28(19-16-14-12-10-8-6-4-2)43-40(44)35-26-23-32-29-20-17-21-30-34(42(46)47)25-22-31(37(29)30)33-24-27-36(41(43)45)39(35)38(32)33/h17,20-28H,3-16,18-19H2,1-2H3,(H,46,47)
InChIKey	XPBWEHSYVYUXBQ-UHFFFAOYSA-N
Molecular Weight	631.857 g/mol
SMILES	OC(c1ccc2c3c1cccc3c1c3c4c(C(N(C(c4cc1)=O)C(CCCCCCCCC)CCCCCCCCC)=O)ccc23)=O
SPLASH	splash10-0159-0009006000-b64695dba54830ec08a1
Source of Spectrum	K1-2001-609-2
Wiley ID	846671