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(5R)-5-methyl-1-(4-nitrophenylsulfonyl)-4,5-dihydro-1Hpyrazole
SpectraBase Compound ID 6rjWw0oRUbm
InChI InChI=1S/C10H11N3O4S/c1-8-6-7-11-12(8)18(16,17)10-4-2-9(3-5-10)13(14)15/h2-5,7-8H,6H2,1H3/t8-/m1/s1
InChIKey LASJASPKIFVNFQ-MRVPVSSYSA-N
Mol Weight 269.27 g/mol
Molecular Formula C10H11N3O4S
Exact Mass 269.047027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6hSHh3S7YB3
Name (5R)-5-methyl-1-(4-nitrophenylsulfonyl)-4,5-dihydro-1Hpyrazole
Alternate Name(s) (R)-5-methyl-1-((4-nitrophenyl)sulfonyl)-4,5-dihydro-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11N3O4S
InChI InChI=1S/C10H11N3O4S/c1-8-6-7-11-12(8)18(16,17)10-4-2-9(3-5-10)13(14)15/h2-5,7-8H,6H2,1H3/t8-/m1/s1
InChIKey LASJASPKIFVNFQ-MRVPVSSYSA-N
Literature Reference DOI 10.1002/adsc.201100722
Molecular Weight 269.275 g/mol
SMILES [C@]1(N(S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])N=CC1)(C)[H]
SPLASH splash10-0uki-2980000000-2e18895c4fad197e0340
Source of Spectrum ASC-354-371/SM13-5g
Wiley ID 1762875