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(5R)-5-butyl-1-(4-nitrophenylsulfonyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID IBH6vxo6JQs
InChI InChI=1S/C13H17N3O4S/c1-2-3-4-11-9-10-14-15(11)21(19,20)13-7-5-12(6-8-13)16(17)18/h5-8,10-11H,2-4,9H2,1H3/t11-/m1/s1
InChIKey QKFNLZHAWPGAQW-LLVKDONJSA-N
Mol Weight 311.36 g/mol
Molecular Formula C13H17N3O4S
Exact Mass 311.093977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KEIxMJ4ifh8
Name (5R)-5-butyl-1-(4-nitrophenylsulfonyl)-4,5-dihydro-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N3O4S
InChI InChI=1S/C13H17N3O4S/c1-2-3-4-11-9-10-14-15(11)21(19,20)13-7-5-12(6-8-13)16(17)18/h5-8,10-11H,2-4,9H2,1H3/t11-/m1/s1
InChIKey QKFNLZHAWPGAQW-LLVKDONJSA-N
Literature Reference DOI 10.1002/adsc.201100722
Molecular Weight 311.356 g/mol
SMILES c1(S(=O)(=O)N2[C@@](CC=N2)(CCCC)[H])ccc(cc1)[N+](=O)[O-]
SPLASH splash10-0uki-1950000000-7eb3e4b67d15aaf4298d
Source of Spectrum ASC-354-371/SM14-5i
Synonyms (R)-5-butyl-1-((4-nitrophenyl)sulfonyl)-4,5-dihydro-1H-pyrazole
Wiley ID 1762877