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4'-(2,4-Dinitrophenylthio)spiro[adamantane-2,2'-(1,3)-dithiolane]
SpectraBase Compound ID 4JByKe7mE3V
InChI InChI=1S/C18H18N2O4S3/c21-19(22)14-1-2-16(15(8-14)20(23)24)26-17-9-25-18(27-17)12-4-10-3-11(6-12)7-13(18)5-10/h1-2,8-13H,3-7H2/t10-,11+,12-,13+,18?
InChIKey OJAWMOYLVNUOMI-UGMHTPEISA-N
Mol Weight 422.53 g/mol
Molecular Formula C18H18N2O4S3
Exact Mass 422.042871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2CzgH1RRCp1
Name 4'-(2,4-Dinitrophenylthio)spiro[adamantane-2,2'-(1,3)-dithiolane]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N2O4S3
InChI InChI=1S/C18H18N2O4S3/c21-19(22)14-1-2-16(15(8-14)20(23)24)26-17-9-25-18(27-17)12-4-10-3-11(6-12)7-13(18)5-10/h1-2,8-13H,3-7H2/t10-,11+,12-,13+,18?
InChIKey OJAWMOYLVNUOMI-UGMHTPEISA-N
Molecular Weight 422.532 g/mol
SMILES C12(SC(Sc3c(N(=O)=O)cc(N(=O)=O)cc3)=CS1)[C@]1(C[C@]3(C[C@@]2(C[C@@](C1)(C3)[H])[H])[H])[H]
SPLASH splash10-00ei-9200400000-031d7955838252d21e27
Source of Spectrum F-55-11490-20
Synonyms 4'-(2,4-Dinitrophenylthio)spiro[adamantane-2,2'-(1,3)-dithiole] 4'-[(2,4-dinitrophenyl)sulfanyl]spiro[adamantane-2,2'-[1,3]dithiole]
Wiley ID 839392