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2-(2-Nitroanilino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-(2-Nitroanilino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
SpectraBase Compound ID 3WzwTGcgdEj
InChI InChI=1S/C15H13N3O2S/c16-9-11-10-5-1-4-8-14(10)21-15(11)17-12-6-2-3-7-13(12)18(19)20/h2-3,6-7,17H,1,4-5,8H2
InChIKey BSOCREKRSSBXNK-UHFFFAOYSA-N
Mol Weight 299.35 g/mol
Molecular Formula C15H13N3O2S
Exact Mass 299.072848 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3ss0SjQ6jA3
Name benzo[b]thiophene-3-carbonitrile, 4,5,6,7-tetrahydro-2-[(2-nitrophenyl)amino]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 299.072847843 u
Formula C15H13N3O2S
InChI InChI=1S/C15H13N3O2S/c16-9-11-10-5-1-4-8-14(10)21-15(11)17-12-6-2-3-7-13(12)18(19)20/h2-3,6-7,17H,1,4-5,8H2
InChIKey BSOCREKRSSBXNK-UHFFFAOYSA-N
Molecular Weight 299.348 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11077
Solvent DMSO-d6
Source Vendor ID: NMR/10251306; Lab Info: LP; Lab Number: LP-2700001