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2,7-bis[17'-Iodo-3',6',9',12',15'-pentaoxaheptadecyloxycarbonyl)methyl]-N-methylphenothiazinhe
SpectraBase Compound ID 5onNBl6NbT
InChI InChI=1S/C41H61I2NO14S/c1-44-36-4-2-35(33-41(46)58-29-27-56-25-23-54-21-19-52-17-15-50-13-11-48-9-7-43)31-39(36)59-38-5-3-34(30-37(38)44)32-40(45)57-28-26-55-24-22-53-20-18-51-16-14-49-12-10-47-8-6-42/h2-5,30-31H,6-29,32-33H2,1H3
InChIKey PWDAVFYGKOQVNI-UHFFFAOYSA-N
Mol Weight 1077.8 g/mol
Molecular Formula C41H61I2NO14S
Exact Mass 1077.190217 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 64XNpjEW5Cm
Name 2,7-bis[17'-Iodo-3',6',9',12',15'-pentaoxaheptadecyloxycarbonyl)methyl]-N-methylphenothiazinhe
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H61I2NO14S
InChI InChI=1S/C41H61I2NO14S/c1-44-36-4-2-35(33-41(46)58-29-27-56-25-23-54-21-19-52-17-15-50-13-11-48-9-7-43)31-39(36)59-38-5-3-34(30-37(38)44)32-40(45)57-28-26-55-24-22-53-20-18-51-16-14-49-12-10-47-8-6-42/h2-5,30-31H,6-29,32-33H2,1H3
InChIKey PWDAVFYGKOQVNI-UHFFFAOYSA-N
Molecular Weight 1077.801 g/mol
SMILES c12N(c3c(Sc2ccc(c1)CC(=O)OCCOCCOCCOCCOCCOCCI)cc(cc3)CC(=O)OCCOCCOCCOCCOCCOCCI)C
SPLASH splash10-0a4r-0980001221-e345be71c883d6d36fe0
Source of Spectrum K1-2001-3272-16
Wiley ID 814200