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(3bS,4aR)-N-benzyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide
SpectraBase Compound ID IkSUwghIbBo
InChI InChI=1S/C18H21N3S/c1-11-15-14(9-13-16(15)18(13,2)3)21(20-11)17(22)19-10-12-7-5-4-6-8-12/h4-8,13,16H,9-10H2,1-3H3,(H,19,22)
InChIKey ZQNSQMGDJWGYOI-UHFFFAOYSA-N
Mol Weight 311.45 g/mol
Molecular Formula C18H21N3S
Exact Mass 311.145619 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3jML1VQNLzK
Name (3bS,4aR)-N-benzyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-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/C18H21N3S/c1-11-15-14(9-13-16(15)18(13,2)3)21(20-11)17(22)19-10-12-7-5-4-6-8-12/h4-8,13,16H,9-10H2,1-3H3,(H,19,22)
InChIKey ZQNSQMGDJWGYOI-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3356
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: 115992; Labnumber: NC98RN83-130; VK_ID: VK-003357
Temperature 308 °C