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4-(5-methyl-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonate

View entire compound with spectra: 2 NMR

4-(5-methyl-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonate
SpectraBase Compound ID 10ul0k5UQLR
InChI InChI=1S/C16H16N2O3S/c1-12-11-16(13-5-3-2-4-6-13)17-18(12)14-7-9-15(10-8-14)22(19,20)21/h2-10,12H,11H2,1H3,(H,19,20,21)/p-1
InChIKey JHJQYTDZECIXOV-UHFFFAOYSA-M
Mol Weight 315.37 g/mol
Molecular Formula C16H15N2O3S
Exact Mass 315.080339 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bi0rNeLGPRL
Name 4-(5-Methyl-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.080338522 u
Formula C16H15N2O3S
InChI InChI=1S/C16H16N2O3S/c1-12-11-16(13-5-3-2-4-6-13)17-18(12)14-7-9-15(10-8-14)22(19,20)21/h2-10,12H,11H2,1H3,(H,19,20,21)/p-1
InChIKey JHJQYTDZECIXOV-UHFFFAOYSA-M
Molecular Weight 315.367 g/mol
SMILES C1=CC=C(C2=NN(C(C)C2)C2=CC=C(S([O-])(=O)=O)C=C2)C=C1