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

*Links on SpectraBase are not permalinks.
(5R)-5-heptyl-1-(4-nitrophenylsulfonyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID C3yPEJsTW6s
InChI InChI=1S/C16H23N3O4S/c1-2-3-4-5-6-7-14-12-13-17-18(14)24(22,23)16-10-8-15(9-11-16)19(20)21/h8-11,13-14H,2-7,12H2,1H3/t14-/m1/s1
InChIKey IUXSFKUIHMAIEC-CQSZACIVSA-N
Mol Weight 353.44 g/mol
Molecular Formula C16H23N3O4S
Exact Mass 353.140927 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 9s3fgGyNOdA
Name (5R)-5-heptyl-1-(4-nitrophenylsulfonyl)-4,5-dihydro-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23N3O4S
InChI InChI=1S/C16H23N3O4S/c1-2-3-4-5-6-7-14-12-13-17-18(14)24(22,23)16-10-8-15(9-11-16)19(20)21/h8-11,13-14H,2-7,12H2,1H3/t14-/m1/s1
InChIKey IUXSFKUIHMAIEC-CQSZACIVSA-N
Literature Reference DOI 10.1002/adsc.201100722
Molecular Weight 353.437 g/mol
SMILES C1=NN(S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])[C@@](C1)(CCCCCCC)[H]
SPLASH splash10-0v4r-1940000000-413c225b138cfee14576
Source of Spectrum ASC-354-371/SM16-5l
Synonyms (R)-5-heptyl-1-((4-nitrophenyl)sulfonyl)-4,5-dihydro-1H-pyrazole
Wiley ID 1762880