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(3bR,4aR)-N-(4-fluorophenyl)-5a-hydroxy-3,4,4-trimethyl-3a,3b,4,4a,5,5a-hexahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide

View entire compound with spectra: 1 NMR

(3bR,4aR)-N-(4-fluorophenyl)-5a-hydroxy-3,4,4-trimethyl-3a,3b,4,4a,5,5a-hexahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide
SpectraBase Compound ID E7BgmulqzHT
InChI InChI=1S/C17H20FN3OS/c1-9-13-14-12(16(14,2)3)8-17(13,22)21(20-9)15(23)19-11-6-4-10(18)5-7-11/h4-7,12-14,22H,8H2,1-3H3,(H,19,23)
InChIKey NBEDDHCHYMEBLM-UHFFFAOYSA-N
Mol Weight 333.43 g/mol
Molecular Formula C17H20FN3OS
Exact Mass 333.131112 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JGfvN7iCMXF
Name (3bR,4aR)-N-(4-fluorophenyl)-5a-hydroxy-3,4,4-trimethyl-3a,3b,4,4a,5,5a-hexahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C17H20FN3OS/c1-9-13-14-12(16(14,2)3)8-17(13,22)21(20-9)15(23)19-11-6-4-10(18)5-7-11/h4-7,12-14,22H,8H2,1-3H3,(H,19,23)
InChIKey NBEDDHCHYMEBLM-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_10004
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 133018; Labnumber: NC98RN83-139; VK_ID: VK-010008
Temperature 308 °C