2,7-bis[14'-Iodo-3',6',9',12'-tetraoxatetradecyloxycarbonyl)methyl]-N-methylphenothiazinhe

SpectraBase Compound ID	AXhThWz1f16
InChI	InChI=1S/C37H53I2NO12S/c1-40-32-4-2-31(29-37(42)52-25-23-50-21-19-48-17-15-46-13-11-44-9-7-39)27-35(32)53-34-5-3-30(26-33(34)40)28-36(41)51-24-22-49-20-18-47-16-14-45-12-10-43-8-6-38/h2-5,26-27H,6-25,28-29H2,1H3
InChIKey	HCLHONWHEBFUAR-UHFFFAOYSA-N Google Search
Mol Weight	989.7 g/mol
Molecular Formula	C37H53I2NO12S
Exact Mass	989.137787 g/mol

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SpectraBase Spectrum ID	4v04IJ7xEUj
Name	2,7-bis[14'-Iodo-3',6',9',12'-tetraoxatetradecyloxycarbonyl)methyl]-N-methylphenothiazinhe
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C37H53I2NO12S
InChI	InChI=1S/C37H53I2NO12S/c1-40-32-4-2-31(29-37(42)52-25-23-50-21-19-48-17-15-46-13-11-44-9-7-39)27-35(32)53-34-5-3-30(26-33(34)40)28-36(41)51-24-22-49-20-18-47-16-14-45-12-10-43-8-6-38/h2-5,26-27H,6-25,28-29H2,1H3
InChIKey	HCLHONWHEBFUAR-UHFFFAOYSA-N
Molecular Weight	989.695 g/mol
SMILES	c12N(c3c(Sc2ccc(c1)CC(=O)OCCOCCOCCOCCOCCI)cc(cc3)CC(=O)OCCOCCOCCOCCOCCI)C
SPLASH	splash10-114s-0720000029-e1b1c3e06f5894b1b9a9
Source of Spectrum	K1-2001-3272-15
Wiley ID	814201