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(5R)-5-hexyl-1-(4-nitrophenylsulfonyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID FT5o6U61cZi
InChI InChI=1S/C15H21N3O4S/c1-2-3-4-5-6-13-11-12-16-17(13)23(21,22)15-9-7-14(8-10-15)18(19)20/h7-10,12-13H,2-6,11H2,1H3/t13-/m1/s1
InChIKey WKCPCELVCKALQV-CYBMUJFWSA-N
Mol Weight 339.41 g/mol
Molecular Formula C15H21N3O4S
Exact Mass 339.125277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5EmMxtyv7Ts
Name (5R)-5-hexyl-1-(4-nitrophenylsulfonyl)-4,5-dihydro-1H-pyrazole
Alternate Name(s) (R)-5-hexyl-1-((4-nitrophenyl)sulfonyl)-4,5-dihydro-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21N3O4S
InChI InChI=1S/C15H21N3O4S/c1-2-3-4-5-6-13-11-12-16-17(13)23(21,22)15-9-7-14(8-10-15)18(19)20/h7-10,12-13H,2-6,11H2,1H3/t13-/m1/s1
InChIKey WKCPCELVCKALQV-CYBMUJFWSA-N
Literature Reference DOI 10.1002/adsc.201100722
Molecular Weight 339.410 g/mol
SMILES C1=NN(S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])[C@@](C1)(CCCCCC)[H]
SPLASH splash10-0udr-1940000000-93395c81250f797da147
Source of Spectrum ASC-354-371/SM15-5k
Wiley ID 1762879