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(1R,2S,3R,4S)-1-Methyl-2,4-dinitro-3-(3'-nitrophenyl)cyclohexan-1-ol
SpectraBase Compound ID 3oRLpddHy4A
InChI InChI=1S/C13H15N3O7/c1-13(17)6-5-10(15(20)21)11(12(13)16(22)23)8-3-2-4-9(7-8)14(18)19/h2-4,7,10-12,17H,5-6H2,1H3/t10-,11+,12-,13+/m0/s1
InChIKey AVWIZWAMEINPPG-QNWHQSFQSA-N
Mol Weight 325.28 g/mol
Molecular Formula C13H15N3O7
Exact Mass 325.091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I9eu6Bf6HcV
Name (1R,2S,3R,4S)-1-Methyl-2,4-dinitro-3-(3'-nitrophenyl)cyclohexan-1-ol
Alternate Name(s) (1R,2S,3R,4S)-1-methyl-2,4-dinitro-3-(3-nitrophenyl)cyclohexanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N3O7
InChI InChI=1S/C13H15N3O7/c1-13(17)6-5-10(15(20)21)11(12(13)16(22)23)8-3-2-4-9(7-8)14(18)19/h2-4,7,10-12,17H,5-6H2,1H3/t10-,11+,12-,13+/m0/s1
InChIKey AVWIZWAMEINPPG-QNWHQSFQSA-N
Literature Reference DOI 10.1002/adsc.201300039
Molecular Weight 325.277 g/mol
SMILES O[C@]1([C@]([C@@]([C@](CC1)([N+](=O)[O-])[H])(c1cc(ccc1)[N+](=O)[O-])[H])([N+](=O)[O-])[H])C
SPLASH splash10-0uyl-0790000000-75ce53bd6222c8f11fcb
Source of Spectrum ASC-355-1134-11c
Wiley ID 1762014