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ethyl 2-{4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinoline-5,1'-cyclohexan]-2-ylsulfanyl}acetate
SpectraBase Compound ID Fp3GqIDT2YG
InChI InChI=1S/C21H24N2O3S/c1-2-26-16(24)13-27-20-22-18-15-9-5-4-8-14(15)12-21(10-6-3-7-11-21)17(18)19(25)23-20/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,22,23,25)
InChIKey AEJQTARQKSRTCW-UHFFFAOYSA-N
Mol Weight 384.49 g/mol
Molecular Formula C21H24N2O3S
Exact Mass 384.150764 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6yG1UFAZtOT
Name ethyl 2-{4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinoline-5,1'-cyclohexan]-2-ylsulfanyl}acetate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.150763812 u
Formula C21H24N2O3S
InChI InChI=1S/C21H24N2O3S/c1-2-26-16(24)13-27-20-22-18-15-9-5-4-8-14(15)12-21(10-6-3-7-11-21)17(18)19(25)23-20/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,22,23,25)
InChIKey AEJQTARQKSRTCW-UHFFFAOYSA-N
Molecular Weight 384.494 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_2151
Solvent DMSO-d6
Source Vendor ID: NMR/12279005