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N-[1-(1-adamantyl)ethyl]-3-(3-nitro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
SpectraBase Compound ID LiiOYjDNRUd
InChI InChI=1S/C25H35N5O3/c1-15(23-6-16-2-17(7-23)4-18(3-16)8-23)27-21(31)24-9-19-5-20(10-24)12-25(11-19,13-24)29-14-26-22(28-29)30(32)33/h14-20H,2-13H2,1H3,(H,27,31)/t15?,16-,17+,18-,19-,20+,23-,24+,25-
InChIKey TWFZCPMDEYULGJ-WBKQKWPUSA-N
Mol Weight 453.6 g/mol
Molecular Formula C25H35N5O3
Exact Mass 453.27399 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9ksWPIMnef0
Name N-[1-(1-adamantyl)ethyl]-3-(3-nitro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
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/C25H35N5O3/c1-15(23-6-16-2-17(7-23)4-18(3-16)8-23)27-21(31)24-9-19-5-20(10-24)12-25(11-19,13-24)29-14-26-22(28-29)30(32)33/h14-20H,2-13H2,1H3,(H,27,31)/t15?,16-,17+,18-,19-,20+,23-,24+,25-
InChIKey TWFZCPMDEYULGJ-WBKQKWPUSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18853
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/9130373; UBI_ID: UBI-018856
Temperature 308 °C