For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(5R)-1-(4-nitrophenylsulfonyl)-5-octyl-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID BcC7mJRuMLF
InChI InChI=1S/C17H25N3O4S/c1-2-3-4-5-6-7-8-15-13-14-18-19(15)25(23,24)17-11-9-16(10-12-17)20(21)22/h9-12,14-15H,2-8,13H2,1H3/t15-/m1/s1
InChIKey MLAQSXMGQSOBFB-OAHLLOKOSA-N
Mol Weight 367.46 g/mol
Molecular Formula C17H25N3O4S
Exact Mass 367.156577 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID K0QNJIKUXpu
Name (5R)-1-(4-nitrophenylsulfonyl)-5-octyl-4,5-dihydro-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25N3O4S
InChI InChI=1S/C17H25N3O4S/c1-2-3-4-5-6-7-8-15-13-14-18-19(15)25(23,24)17-11-9-16(10-12-17)20(21)22/h9-12,14-15H,2-8,13H2,1H3/t15-/m1/s1
InChIKey MLAQSXMGQSOBFB-OAHLLOKOSA-N
Literature Reference DOI 10.1002/adsc.201100722
Molecular Weight 367.464 g/mol
SMILES C1=NN(S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])[C@@](C1)(CCCCCCCC)[H]
SPLASH splash10-0uei-1940000000-b61e18c32a898e242bcc
Source of Spectrum ASC-354-371/SM17-5m
Synonyms (R)-1-((4-nitrophenyl)sulfonyl)-5-octyl-4,5-dihydro-1H-pyrazole
Wiley ID 1762881