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2-n-Butyl-3-(p-toluenesulfonyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
SpectraBase Compound ID 4V2KmIqrYMh
InChI InChI=1S/C17H22N2O2S/c1-3-4-6-15-17(16-7-5-12-19(16)18-15)22(20,21)14-10-8-13(2)9-11-14/h8-11H,3-7,12H2,1-2H3
InChIKey OHOVIWJTGYGRGC-UHFFFAOYSA-N
Mol Weight 318.44 g/mol
Molecular Formula C17H22N2O2S
Exact Mass 318.140199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3rncP1j14jH
Name 2-n-Butyl-3-(p-toluenesulfonyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O2S
InChI InChI=1S/C17H22N2O2S/c1-3-4-6-15-17(16-7-5-12-19(16)18-15)22(20,21)14-10-8-13(2)9-11-14/h8-11H,3-7,12H2,1-2H3
InChIKey OHOVIWJTGYGRGC-UHFFFAOYSA-N
Molecular Weight 318.435 g/mol
SMILES c1(S(c2ccc(cc2)C)(=O)=O)c(n[n]2c1CCC2)CCCC
SPLASH splash10-01t9-0090000000-6e2389996fb04d4f4fa1
Source of Spectrum J-73-8068-68
Wiley ID 1668694