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5,11-Dihydro-11-[(4-[2-chloroethyl]-1-piperazinyl)acetyl]-6H-pyrido[2,3

View entire compound with spectra: 1 NMR

5,11-Dihydro-11-[(4-[2-chloroethyl]-1-piperazinyl)acetyl]-6H-pyrido[2,3
SpectraBase Compound ID ATB994U7sGW
InChI InChI=1S/C20H22ClN5O2/c21-7-9-24-10-12-25(13-11-24)14-18(27)26-17-6-2-1-4-15(17)20(28)23-16-5-3-8-22-19(16)26/h1-6,8H,7,9-14H2,(H,23,28)
InChIKey RRPDKZUBFMKHQR-UHFFFAOYSA-N
Mol Weight 399.88 g/mol
Molecular Formula C20H22ClN5O2
Exact Mass 399.146203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CRLVKXvQfa0
Name 5,11-Dihydro-11-[(4-[2-chloroethyl]-1-piperazinyl)acetyl]-6H-pyrido[2,3
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.146202666 u
Formula C20H22ClN5O2
InChI InChI=1S/C20H22ClN5O2/c21-7-9-24-10-12-25(13-11-24)14-18(27)26-17-6-2-1-4-15(17)20(28)23-16-5-3-8-22-19(16)26/h1-6,8H,7,9-14H2,(H,23,28)
InChIKey RRPDKZUBFMKHQR-UHFFFAOYSA-N
Molecular Weight 399.882 g/mol
SMILES C12=C(C=CC=N2)NC(C=2C(N1C(CN1CCN(CCCl)CC1)=O)=CC=CC2)=O