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(5R)-1-(4-nitrophenylsulfonyl)-5-propyl-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID KvbaJXCLPrW
InChI InChI=1S/C12H15N3O4S/c1-2-3-10-8-9-13-14(10)20(18,19)12-6-4-11(5-7-12)15(16)17/h4-7,9-10H,2-3,8H2,1H3/t10-/m1/s1
InChIKey YJRGKQMWTNQIAU-SNVBAGLBSA-N
Mol Weight 297.33 g/mol
Molecular Formula C12H15N3O4S
Exact Mass 297.078327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID zYhub51XM
Name (5R)-1-(4-nitrophenylsulfonyl)-5-propyl-4,5-dihydro-1H-pyrazole
Alternate Name(s) (R)-1-((4-nitrophenyl)sulfonyl)-5-propyl-4,5-dihydro-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15N3O4S
InChI InChI=1S/C12H15N3O4S/c1-2-3-10-8-9-13-14(10)20(18,19)12-6-4-11(5-7-12)15(16)17/h4-7,9-10H,2-3,8H2,1H3/t10-/m1/s1
InChIKey YJRGKQMWTNQIAU-SNVBAGLBSA-N
Literature Reference DOI 10.1002/adsc.201100722
Molecular Weight 297.329 g/mol
SMILES [C@]1(N(S(=O)(c2ccc(cc2)[N+](=O)[O-])=O)N=CC1)(CCC)[H]
SPLASH splash10-0uki-1960000000-8305a09e4b2a226e87c3
Source of Spectrum ASC-354-371/SM14-5h
Wiley ID 1762876