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1-(2-Adamantyl)-4-{5-[(3-chlorophenoxy)methyl]-2-furoyl}piperazine

View entire compound with spectra: 2 NMR

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID atdm9j4Il5
Name 1-(2-Adamantyl)-4-{5-[(3-chlorophenoxy)methyl]-2-furoyl}piperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.202320563 u
Formula C26H31ClN2O3
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
Molecular Weight 454.998 g/mol
SMILES C=1C=CC(=CC1Cl)OCC=1OC(C(=O)N2CCN(C3[C@]4(C[C@]5(C[C@@]3(C[C@](C5)(C4)[H])[H])[H])[H])CC2)=CC1