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1-(2-adamantyl)-4-{5-[(3-chlorophenoxy)methyl]-2-furoyl}piperazine
SpectraBase Compound ID 857pDijvdEV
InChI InChI=1S/C26H31ClN2O3/c27-21-2-1-3-22(15-21)31-16-23-4-5-24(32-23)26(30)29-8-6-28(7-9-29)25-19-11-17-10-18(13-19)14-20(25)12-17/h1-5,15,17-20,25H,6-14,16H2/t17-,18+,19-,20+,25?
InChIKey XKFDOWPXPLWIAQ-FJISWJBVSA-N
Mol Weight 455.0 g/mol
Molecular Formula C26H31ClN2O3
Exact Mass 454.202321 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3oGhIu4fBQk
Name 1-(2-adamantyl)-4-{5-[(3-chlorophenoxy)methyl]-2-furoyl}piperazine
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/C26H31ClN2O3/c27-21-2-1-3-22(15-21)31-16-23-4-5-24(32-23)26(30)29-8-6-28(7-9-29)25-19-11-17-10-18(13-19)14-20(25)12-17/h1-5,15,17-20,25H,6-14,16H2/t17-,18+,19-,20+,25?
InChIKey XKFDOWPXPLWIAQ-FJISWJBVSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_5427
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/9162704; Labnumber: B_AMK_AC/0391; UZI_ID: UZI-005429
Synonyms (5-{[4-(2-adamantyl)-1-piperazinyl]carbonyl}-2-furyl)methyl 3-chlorophenyl ether
Temperature 305 °C