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4-(3-Bromo-4-ethoxy-5-methoxy-phenyl)-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SpectraBase Compound ID EQ51s8WaLV4
InChI InChI=1S/C21H21BrN2O4/c1-3-28-21-17(22)9-12(10-19(21)27-2)20-15-6-4-5-14(15)16-11-13(24(25)26)7-8-18(16)23-20/h4-5,7-11,14-15,20,23H,3,6H2,1-2H3
InChIKey PRULTHQJMVFROH-UHFFFAOYSA-N
Mol Weight 445.31 g/mol
Molecular Formula C21H21BrN2O4
Exact Mass 444.06847 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LmHXO3ERGov
Name 3H-cyclopenta[c]quinoline, 4-(3-bromo-4-ethoxy-5-methoxyphenyl)-3a,4,5,9b-tetrahydro-8-nitro-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.068470160 u
Formula C21H21BrN2O4
InChI InChI=1S/C21H21BrN2O4/c1-3-28-21-17(22)9-12(10-19(21)27-2)20-15-6-4-5-14(15)16-11-13(24(25)26)7-8-18(16)23-20/h4-5,7-11,14-15,20,23H,3,6H2,1-2H3
InChIKey PRULTHQJMVFROH-UHFFFAOYSA-N
Molecular Weight 445.313 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8543
Solvent DMSO-d6
Source Vendor ID: NMR/10210178; Lab Info: LP; Lab Number: LP-0400209