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1H-1,4-Diazepine, 1,4-bis[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl]hexahydro-
SpectraBase Compound ID 11KC5WVur0E
InChI InChI=1S/C21H26F2N2O8S2/c1-30-16-10-14(22)20(12-18(16)32-3)34(26,27)24-6-5-7-25(9-8-24)35(28,29)21-13-19(33-4)17(31-2)11-15(21)23/h10-13H,5-9H2,1-4H3
InChIKey TWDQAGMHXUCVIE-UHFFFAOYSA-N
Mol Weight 536.56 g/mol
Molecular Formula C21H26F2N2O8S2
Exact Mass 536.109864 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FxzndKFkWTR
Name 1H-1,4-Diazepine, 1,4-bis[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl]hexahydro-
Alternate Name(s) 1,4-bis[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl]-1,4-diazepane 1,4-bis[(2-fluoranyl-4,5-dimethoxy-phenyl)sulfonyl]-1,4-diazepane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26F2N2O8S2
InChI InChI=1S/C21H26F2N2O8S2/c1-30-16-10-14(22)20(12-18(16)32-3)34(26,27)24-6-5-7-25(9-8-24)35(28,29)21-13-19(33-4)17(31-2)11-15(21)23/h10-13H,5-9H2,1-4H3
InChIKey TWDQAGMHXUCVIE-UHFFFAOYSA-N
Molecular Weight 536.562 g/mol
SMILES c1(cc(c(F)cc1OC)S(=O)(=O)N1CCCN(CC1)S(=O)(=O)c1cc(c(cc1F)OC)OC)OC
SPLASH splash10-05te-9410000000-58ac70ed42cd8962b71e
Source of Spectrum IY-1-4647-5
Wiley ID 1654458