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7-Oxabicyclo[2.2.1]heptane, 2-(chloromethyl)-3,6-bis(methylene)-2-[(2-nitrophenyl)thio]-5-[[(2-nitrophenyl)thio]methylene]-, (1.alpha.,2.alpha.,4.alpha.,5Z)-(.+-.)-
SpectraBase Compound ID 1IG2Hl2OvRG
InChI InChI=1S/C22H17ClN2O5S2/c1-13-15(11-31-18-9-5-3-7-16(18)24(26)27)20-14(2)22(12-23,21(13)30-20)32-19-10-6-4-8-17(19)25(28)29/h3-11,20-21H,1-2,12H2/b15-11-/t20-,21-,22+/m1/s1
InChIKey RZAFMGNIHXHCMP-MNRHVMDZSA-N
Mol Weight 488.96 g/mol
Molecular Formula C22H17ClN2O5S2
Exact Mass 488.026742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4jmGIXx8o
Name 7-Oxabicyclo[2.2.1]heptane, 2-(chloromethyl)-3,6-bis(methylene)-2-[(2-nitrophenyl)thio]-5-[[(2-nitrophenyl)thio]methylene]-, (1.alpha.,2.alpha.,4.alpha.,5Z)-(.+-.)-
CAS Registry Number 98244-52-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17ClN2O5S2
InChI InChI=1S/C22H17ClN2O5S2/c1-13-15(11-31-18-9-5-3-7-16(18)24(26)27)20-14(2)22(12-23,21(13)30-20)32-19-10-6-4-8-17(19)25(28)29/h3-11,20-21H,1-2,12H2/b15-11-/t20-,21-,22+/m1/s1
InChIKey RZAFMGNIHXHCMP-MNRHVMDZSA-N
Molecular Weight 488.960 g/mol
SMILES [C@]1(C([C@]2(O[C@@]1(C(\C2=C/Sc1c(N(=O)=O)cccc1)=C)[H])[H])=C)(Sc1c(N(=O)=O)cccc1)CCl
SPLASH splash10-000b-0910000000-adf1d450573894bbec6d
Source of Spectrum H-68-1074-27
Synonyms (5Z)-2-(chloromethyl)-3,6-dimethylene-2-[(2-nitrophenyl)sulfanyl]-5-{[(2-nitrophenyl)sulfanyl]methylene}-7-oxabicyclo[2.2.1]heptane 2-endo-chloromethyl-3,6-dimethylidene-2-exo-(2-nitrophenyl)sulfenyl-5-[(Z)-(2-nitrophenyl)sulfenylmethylidene]-7-oxabicyclo[2.2.1]heptane
Wiley ID 1396799