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1,2-Bis(2,4-dinitrophenylthiomethyl)-1-cyclohexene
SpectraBase Compound ID 4aeLIcdZ2DS
InChI InChI=1S/C20H18N4O8S2/c25-21(26)15-5-7-19(17(9-15)23(29)30)33-11-13-3-1-2-4-14(13)12-34-20-8-6-16(22(27)28)10-18(20)24(31)32/h5-10H,1-4,11-12H2
InChIKey PSUZXWOCNOCMDM-UHFFFAOYSA-N
Mol Weight 506.5 g/mol
Molecular Formula C20H18N4O8S2
Exact Mass 506.056606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vZrCSmE9Q
Name 1,2-Bis(2,4-dinitrophenylthiomethyl)-1-cyclohexene
Alternate Name(s) 1,2-bis(((2,4-dinitrophenyl)thio)methyl)cyclohex-1-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N4O8S2
InChI InChI=1S/C20H18N4O8S2/c25-21(26)15-5-7-19(17(9-15)23(29)30)33-11-13-3-1-2-4-14(13)12-34-20-8-6-16(22(27)28)10-18(20)24(31)32/h5-10H,1-4,11-12H2
InChIKey PSUZXWOCNOCMDM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19751080229
Molecular Weight 506.504 g/mol
SMILES C1(=C(CCCC1)CSc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-])CSc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]
SPLASH splash10-0a6r-6901000000-b1d33ae9101dd50602dc
Source of Spectrum K-108-638-638_1
Wiley ID 1793863