(14Z,14'Z,16E,16'E)-2,2',6,6'-tetraoxa-13,13',14,14',16,16',17,17'-octaaza-4,4'-spirobi[tricyclo[16.4.0.0(7,12)]docosane]-1(18),1'(18'),7,7',9,9',11,11',14,14',16,16',19,19',21,21'-hexadecaene

SpectraBase Compound ID	LB6TCPwrxoC
InChI	InChI=1S/C31H28N8O4/c1-5-13-27-23(9-1)36-32-21-33-37-24-10-2-6-14-28(24)41-18-31(17-40-27)19-42-29-15-7-3-11-25(29)38-34-22-35-39-26-12-4-8-16-30(26)43-20-31/h1-16,21-22,36,38H,17-20H2/b32-21-,34-22-,37-33+,39-35+
InChIKey	BVWQJWYSXYWMNR-VNUOEZSTSA-N Google Search
Mol Weight	576.62 g/mol
Molecular Formula	C31H28N8O4
Exact Mass	576.223351 g/mol

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SpectraBase Spectrum ID	IB2JFhM0hjY
Name	(14Z,14'Z,16E,16'E)-2,2',6,6'-tetraoxa-13,13',14,14',16,16',17,17'-octaaza-4,4'-spirobi[tricyclo[16.4.0.0(7,12)]docosane]-1(18),1'(18'),7,7',9,9',11,11',14,14',16,16',19,19',21,21'-hexadecaene
Appearance	Deep red crystals
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C31H28N8O4
InChI	InChI=1S/C31H28N8O4/c1-5-13-27-23(9-1)36-32-21-33-37-24-10-2-6-14-28(24)41-18-31(17-40-27)19-42-29-15-7-3-11-25(29)38-34-22-35-39-26-12-4-8-16-30(26)43-20-31/h1-16,21-22,36,38H,17-20H2/b32-21-,34-22-,37-33+,39-35+
InChIKey	BVWQJWYSXYWMNR-VNUOEZSTSA-N
Instrument Name	GC MS-QP1000 EX or MS 5988
Ionization Type	EI
Literature Reference DOI	10.3998/ark.5550190.0010.a07
Molecular Weight	576.617 g/mol
SMILES	N1c2c(OCC3(COc4c(\N=N\C=N/Nc5ccccc5OC3)cccc4)COc3c(\N=N\C=N/1)cccc3)cccc2
SPLASH	splash10-004i-0200090000-93708e89ecac159f32f4
Source of Spectrum	ARK-2009-69-7a
Thin-Layer Chromatography	Rf = 0.65 (CH2Cl2)
Wiley ID	1869591