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(5R)-1-(4-nitrophenylsulfonyl)-5-pentyl-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID 2qTqNzWCpcV
InChI InChI=1S/C14H19N3O4S/c1-2-3-4-5-12-10-11-15-16(12)22(20,21)14-8-6-13(7-9-14)17(18)19/h6-9,11-12H,2-5,10H2,1H3/t12-/m1/s1
InChIKey JUWVOAXYCNVRHP-GFCCVEGCSA-N
Mol Weight 325.38 g/mol
Molecular Formula C14H19N3O4S
Exact Mass 325.109627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AB4JrDyMZ6Z
Name (5R)-1-(4-nitrophenylsulfonyl)-5-pentyl-4,5-dihydro-1H-pyrazole
Alternate Name(s) (R)-1-((4-nitrophenyl)sulfonyl)-5-pentyl-4,5-dihydro-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19N3O4S
InChI InChI=1S/C14H19N3O4S/c1-2-3-4-5-12-10-11-15-16(12)22(20,21)14-8-6-13(7-9-14)17(18)19/h6-9,11-12H,2-5,10H2,1H3/t12-/m1/s1
InChIKey JUWVOAXYCNVRHP-GFCCVEGCSA-N
Literature Reference DOI 10.1002/adsc.201100722
Molecular Weight 325.383 g/mol
SMILES c1(S(=O)(=O)N2N=CC[C@]2(CCCCC)[H])ccc(cc1)[N+](=O)[O-]
SPLASH splash10-0fe0-1940000000-bdb7345673b5134f53bd
Source of Spectrum ASC-354-371/SM15-5j
Wiley ID 1762878