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benzoic acid, 4-[3-(4-chlorophenyl)-6,7,8,9,10,11,12,13,14,15-decahydrocyclododeca[e]pyrazolo[1,5-a]pyrimidin-5-yl]-, methyl ester

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benzoic acid, 4-[3-(4-chlorophenyl)-6,7,8,9,10,11,12,13,14,15-decahydrocyclododeca[e]pyrazolo[1,5-a]pyrimidin-5-yl]-, methyl ester
SpectraBase Compound ID Hnqe0xATsWC
InChI InChI=1S/C30H32ClN3O2/c1-36-30(35)23-14-12-22(13-15-23)28-25-10-8-6-4-2-3-5-7-9-11-27(25)34-29(33-28)26(20-32-34)21-16-18-24(31)19-17-21/h12-20H,2-11H2,1H3
InChIKey MQLFGNZXYOUWSS-UHFFFAOYSA-N
Mol Weight 502.1 g/mol
Molecular Formula C30H32ClN3O2
Exact Mass 501.218305 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4SucDZST1IZ
Name benzoic acid, 4-[3-(4-chlorophenyl)-6,7,8,9,10,11,12,13,14,15-decahydrocyclododeca[e]pyrazolo[1,5-a]pyrimidin-5-yl]-, methyl ester
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/C30H32ClN3O2/c1-36-30(35)23-14-12-22(13-15-23)28-25-10-8-6-4-2-3-5-7-9-11-27(25)34-29(33-28)26(20-32-34)21-16-18-24(31)19-17-21/h12-20H,2-11H2,1H3
InChIKey MQLFGNZXYOUWSS-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_5750
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: NMR/18211128; Labnumber: AAP9001012138