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3H-pyrazol-3-one, 4-[(cyclopentylamino)methylene]-2-(4-fluorophenyl)-2,4-dihydro-5-propyl-, (4E)-
SpectraBase Compound ID 6RPWxEGb3Ix
InChI InChI=1S/C18H22FN3O/c1-2-5-17-16(12-20-14-6-3-4-7-14)18(23)22(21-17)15-10-8-13(19)9-11-15/h8-12,14,20H,2-7H2,1H3/b16-12+
InChIKey URYUDMZRVKQFNB-FOWTUZBSSA-N
Mol Weight 315.39 g/mol
Molecular Formula C18H22FN3O
Exact Mass 315.174691 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 24qpikYjbR4
Name 3H-pyrazol-3-one, 4-[(cyclopentylamino)methylene]-2-(4-fluorophenyl)-2,4-dihydro-5-propyl-, (4E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.174690502 u
Formula C18H22FN3O
InChI InChI=1S/C18H22FN3O/c1-2-5-17-16(12-20-14-6-3-4-7-14)18(23)22(21-17)15-10-8-13(19)9-11-15/h8-12,14,20H,2-7H2,1H3/b16-12+
InChIKey URYUDMZRVKQFNB-FOWTUZBSSA-N
Molecular Weight 315.392 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16080
Solvent DMSO-d6
Source Vendor ID: NMR/11250268; Lab Info: PRE; Lab Number: PRE-0104002