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2,7-bis[8'-Iodo-3',6'-dioxaoctyloxycarbonyl)methyl]-N-methylphenothiazinhe
SpectraBase Compound ID Jk8WYz3d39r
InChI InChI=1S/C29H37I2NO8S/c1-32-24-4-2-23(21-29(34)40-17-15-38-13-11-36-9-7-31)19-27(24)41-26-5-3-22(18-25(26)32)20-28(33)39-16-14-37-12-10-35-8-6-30/h2-5,18-19H,6-17,20-21H2,1H3
InChIKey YLZZZHWUOBEIAS-UHFFFAOYSA-N
Mol Weight 813.5 g/mol
Molecular Formula C29H37I2NO8S
Exact Mass 813.032928 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 10JhIIETr6
Name 2,7-bis[8'-Iodo-3',6'-dioxaoctyloxycarbonyl)methyl]-N-methylphenothiazinhe
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H37I2NO8S
InChI InChI=1S/C29H37I2NO8S/c1-32-24-4-2-23(21-29(34)40-17-15-38-13-11-36-9-7-31)19-27(24)41-26-5-3-22(18-25(26)32)20-28(33)39-16-14-37-12-10-35-8-6-30/h2-5,18-19H,6-17,20-21H2,1H3
InChIKey YLZZZHWUOBEIAS-UHFFFAOYSA-N
Molecular Weight 813.483 g/mol
SMILES c12N(c3c(Sc2ccc(c1)CC(=O)OCCOCCOCCI)cc(cc3)CC(=O)OCCOCCOCCI)C
SPLASH splash10-0a6u-0900000010-ea03448671fc485d7e7d
Source of Spectrum K1-2001-3271-13
Wiley ID 814205