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1H-cyclopenta[c]quinoline, 1-chloro-2,3,3a,4,5,9b-hexahydro-6-methoxy-4-(4-nitrophenyl)-2-[(2-nitrophenyl)thio]-
SpectraBase Compound ID 6dFrUSo02Gw
InChI InChI=1S/C25H22ClN3O5S/c1-34-19-7-4-5-16-22-17(24(27-25(16)19)14-9-11-15(12-10-14)28(30)31)13-21(23(22)26)35-20-8-3-2-6-18(20)29(32)33/h2-12,17,21-24,27H,13H2,1H3
InChIKey LXVFCPQOZQMSBZ-UHFFFAOYSA-N
Mol Weight 511.98 g/mol
Molecular Formula C25H22ClN3O5S
Exact Mass 511.09687 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ALGqDWCFQnk
Name 1H-cyclopenta[c]quinoline, 1-chloro-2,3,3a,4,5,9b-hexahydro-6-methoxy-4-(4-nitrophenyl)-2-[(2-nitrophenyl)thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 511.096869689 u
Formula C25H22ClN3O5S
InChI InChI=1S/C25H22ClN3O5S/c1-34-19-7-4-5-16-22-17(24(27-25(16)19)14-9-11-15(12-10-14)28(30)31)13-21(23(22)26)35-20-8-3-2-6-18(20)29(32)33/h2-12,17,21-24,27H,13H2,1H3
InChIKey LXVFCPQOZQMSBZ-UHFFFAOYSA-N
Molecular Weight 511.980 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2555
Solvent DMSO-d6
Source Vendor ID: ZI/7100619; Lab Info: BOS; Lab Number: BOS-aen3059
Temperature 29.85 °C