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3(2H)-Thiophenone, 5-(2,2-dimethylpropylidene)dihydro-2,4-bis(1-methyl-1-nitroethyl)-, oxime, (2.alpha.,4.alpha.,5Z)-
SpectraBase Compound ID 6WyyfiBBBaJ
InChI InChI=1S/C15H25N3O5S/c1-13(2,3)8-9-10(14(4,5)17(20)21)11(16-19)12(24-9)15(6,7)18(22)23/h8,10,12,19H,1-7H3/b9-8-,16-11-/t10-,12+/m1/s1
InChIKey DJDFOPYOUUBUEQ-ZCQBOVMNSA-N
Mol Weight 359.44 g/mol
Molecular Formula C15H25N3O5S
Exact Mass 359.151492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IDAVpejjYCG
Name 3(2H)-Thiophenone, 5-(2,2-dimethylpropylidene)dihydro-2,4-bis(1-methyl-1-nitroethyl)-, oxime, (2.alpha.,4.alpha.,5Z)-
Alternate Name(s) 5-[(Z)-2',2'-dimethylpropylidene]-r-2,c-4-bis(1''-methyl-1''-nitroethyl)tetrahydrothiophen-3-one oxime 5-[(Z)-2',2'-Dimethylpropylidene]-r-2,c-4-bis(1''-methyl-1''-nitroethyl)tetrahydrothiophen-3-one oxime N-[(2R,3Z,4S,5Z)-5-(2,2-dimethylpropylidene)-2,4-bis(2-nitropropan-2-yl)thiolan-3-ylidene]hydroxylamine
CAS Registry Number 83114-29-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H25N3O5S
InChI InChI=1S/C15H25N3O5S/c1-13(2,3)8-9-10(14(4,5)17(20)21)11(16-19)12(24-9)15(6,7)18(22)23/h8,10,12,19H,1-7H3/b9-8-,16-11-/t10-,12+/m1/s1
InChIKey DJDFOPYOUUBUEQ-ZCQBOVMNSA-N
Molecular Weight 359.441 g/mol
SMILES O\N=C/1[C@@](C(N(=O)=O)(C)C)(S\C(=C/C(C)(C)C)[C@]1(C(N(=O)=O)(C)C)[H])[H]
SPLASH splash10-0a4l-9000000000-3e9116b5f8a46e09360c
Source of Spectrum B-35-984-0
Wiley ID 1347655