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(S)-3-(4'-Nitro-1H-pyrazol-1'-yl)propane-1,2-diol
SpectraBase Compound ID CzJy3l274lE
InChI InChI=1S/C6H9N3O4/c10-4-6(11)3-8-2-5(1-7-8)9(12)13/h1-2,6,10-11H,3-4H2/t6-/m0/s1
InChIKey DZAIQDRFAGGMGX-LURJTMIESA-N
Mol Weight 187.16 g/mol
Molecular Formula C6H9N3O4
Exact Mass 187.059306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0BaJxJXB2y
Name (S)-3-(4'-Nitro-1H-pyrazol-1'-yl)propane-1,2-diol
Alternate Name(s) (2S)-3-(4-nitro-1H-pyrazol-1-yl)-1,2-propanediol (2S)-3-(4-nitro-1-pyrazolyl)propane-1,2-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9N3O4
InChI InChI=1S/C6H9N3O4/c10-4-6(11)3-8-2-5(1-7-8)9(12)13/h1-2,6,10-11H,3-4H2/t6-/m0/s1
InChIKey DZAIQDRFAGGMGX-LURJTMIESA-N
Molecular Weight 187.155 g/mol
SMILES O[C@](CO)(C[n]1cc(N(=O)=O)cn1)[H]
SPLASH splash10-000i-0900000000-0da3cc37de08e7e2a4a2
Source of Spectrum H-87-475-3
Wiley ID 1563593