N-[3-[(1-adamantylcarbonyl)amino]-5-(1-piperidinylcarbonyl)phenyl]-1-adamantanecarboxamide

SpectraBase Compound ID	5TfRva7C4Yd
InChI	InChI=1S/C34H45N3O3/c38-30(37-4-2-1-3-5-37)27-12-28(35-31(39)33-15-21-6-22(16-33)8-23(7-21)17-33)14-29(13-27)36-32(40)34-18-24-9-25(19-34)11-26(10-24)20-34/h12-14,21-26H,1-11,15-20H2,(H,35,39)(H,36,40)/t21-,22+,23-,24-,25?,26?,33-,34?
InChIKey	CZWKWMBVBQSYHN-DAYBFCLSSA-N Google Search
Mol Weight	543.8 g/mol
Molecular Formula	C34H45N3O3
Exact Mass	543.346092 g/mol

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SpectraBase Spectrum ID	4kOlrTBVfLV
Name	N-[3-[(1-adamantylcarbonyl)amino]-5-(1-piperidinylcarbonyl)phenyl]-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/C34H45N3O3/c38-30(37-4-2-1-3-5-37)27-12-28(35-31(39)33-15-21-6-22(16-33)8-23(7-21)17-33)14-29(13-27)36-32(40)34-18-24-9-25(19-34)11-26(10-24)20-34/h12-14,21-26H,1-11,15-20H2,(H,35,39)(H,36,40)/t21-,22+,23-,24-,25?,26?,33-,34?
InChIKey	CZWKWMBVBQSYHN-DAYBFCLSSA-N
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_16782
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/8181107; UBI_ID: UBI-016785
Temperature	308 °C