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benzamide, N-[5,6-dihydro-3-[[4-(phenylmethyl)-1-piperazinyl]carbonyl]-4H-cyclopenta[b]thien-2-yl]-3-methyl-
SpectraBase Compound ID 49muoWLJHhi
InChI InChI=1S/C27H29N3O2S/c1-19-7-5-10-21(17-19)25(31)28-26-24(22-11-6-12-23(22)33-26)27(32)30-15-13-29(14-16-30)18-20-8-3-2-4-9-20/h2-5,7-10,17H,6,11-16,18H2,1H3,(H,28,31)
InChIKey BCGLCECNVJYMAR-UHFFFAOYSA-N
Mol Weight 459.61 g/mol
Molecular Formula C27H29N3O2S
Exact Mass 459.198048 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AXPLXVBWeZg
Name benzamide, N-[5,6-dihydro-3-[[4-(phenylmethyl)-1-piperazinyl]carbonyl]-4H-cyclopenta[b]thien-2-yl]-3-methyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 459.198048358 u
Formula C27H29N3O2S
InChI InChI=1S/C27H29N3O2S/c1-19-7-5-10-21(17-19)25(31)28-26-24(22-11-6-12-23(22)33-26)27(32)30-15-13-29(14-16-30)18-20-8-3-2-4-9-20/h2-5,7-10,17H,6,11-16,18H2,1H3,(H,28,31)
InChIKey BCGLCECNVJYMAR-UHFFFAOYSA-N
Molecular Weight 459.608 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3851
Solvent DMSO-d6
Source Vendor ID: ZI/8116978; Lab Info: DEC; Lab Number: DEC-dvv0390