N,N-Bis[(propoxyethyl)oxy]annulene

SpectraBase Compound ID	EtgR8h509lX
InChI	InChI=1S/C38H36N2O3S4/c1-19-39-31-11-12-32(39)36-16-8-28(45-36)4-6-30-10-18-38(47-30)34-14-13-33(40(34)20-2-22-42-24-26-43-25-23-41-21-1)37-17-9-29(46-37)5-3-27-7-15-35(31)44-27/h3-18H,1-2,19-26H2/b5-3-,6-4-,27-3-,28-4-,29-5-,30-6-,35-31-,36-32-,37-33-,38-34-
InChIKey	JCOWFAUMRAZYEC-DZBRPOIWSA-N Google Search
Mol Weight	697.0 g/mol
Molecular Formula	C38H36N2O3S4
Exact Mass	696.160878 g/mol

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SpectraBase Spectrum ID	L06rGDl7BAx
Name	N,N-Bis[(propoxyethyl)oxy]annulene
Alternate Name(s)	23,26,29-trioxa-44,45,46,47-tetrathia-19,33-diazaoctacyclo[16.15.10.1(5,8).1(11,14).1(34,37).1(40,43).0(4,33).0(15,19)]heptatetraconta-1,3,5,7,9,11,13,15,17,34,36,38,40,42-tetradecaene
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C38H36N2O3S4
InChI	InChI=1S/C38H36N2O3S4/c1-19-39-31-11-12-32(39)36-16-8-28(45-36)4-6-30-10-18-38(47-30)34-14-13-33(40(34)20-2-22-42-24-26-43-25-23-41-21-1)37-17-9-29(46-37)5-3-27-7-15-35(31)44-27/h3-18H,1-2,19-26H2/b5-3-,6-4-,27-3-,28-4-,29-5-,30-6-,35-31-,36-32-,37-33-,38-34-
InChIKey	JCOWFAUMRAZYEC-DZBRPOIWSA-N
Molecular Weight	696.957 g/mol
SMILES	c1-2[n]3CCCOCCOCCOCCC[n]4c(ccc4-c4sc(\C=C/c5sc2cc5)cc4)-c2sc(\C=C/c4sc(-c3cc1)cc4)cc2
SPLASH	splash10-0002-0000009000-6eec17560cfb2f2be5e3
Source of Spectrum	J-61-3661-9
Wiley ID	1414938