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1,2-di(1-adamantyl)-1,2-dihydro-3H-1,2,4-triazol-3-one

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1,2-di(1-adamantyl)-1,2-dihydro-3H-1,2,4-triazol-3-one
SpectraBase Compound ID IylDyM00bnE
InChI InChI=1S/C22H31N3O/c26-20-23-13-24(21-7-14-1-15(8-21)3-16(2-14)9-21)25(20)22-10-17-4-18(11-22)6-19(5-17)12-22/h13-19H,1-12H2/t14?,15?,16?,17-,18+,19-,21?,22-
InChIKey WYBQSAWHPAITSP-AUMWIYKZSA-N
Mol Weight 353.51 g/mol
Molecular Formula C22H31N3O
Exact Mass 353.246713 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JnA7lwnlx72
Name 1,2-di(1-adamantyl)-1,2-dihydro-3H-1,2,4-triazol-3-one
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/C22H31N3O/c26-20-23-13-24(21-7-14-1-15(8-21)3-16(2-14)9-21)25(20)22-10-17-4-18(11-22)6-19(5-17)12-22/h13-19H,1-12H2/t14?,15?,16?,17-,18+,19-,21?,22-
InChIKey WYBQSAWHPAITSP-AUMWIYKZSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_14651
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: UZI/1019882; UBI_ID: UBI-014654
Temperature 300 °C