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4H-cyclopenta[b]thiophene-3-carbonitrile, 2-[[(E)-[5-(2,3-dimethyl-4-nitrophenyl)-2-furanyl]methylidene]amino]-5,6-dihydro-
SpectraBase Compound ID LmytjxB7fdG
InChI InChI=1S/C21H17N3O3S/c1-12-13(2)18(24(25)26)8-7-15(12)19-9-6-14(27-19)11-23-21-17(10-22)16-4-3-5-20(16)28-21/h6-9,11H,3-5H2,1-2H3/b23-11+
InChIKey HIISUUZYKHUQKD-FOKLQQMPSA-N
Mol Weight 391.45 g/mol
Molecular Formula C21H17N3O3S
Exact Mass 391.099063 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CvCdF5gKqDn
Name 4H-cyclopenta[b]thiophene-3-carbonitrile, 2-[[(E)-[5-(2,3-dimethyl-4-nitrophenyl)-2-furanyl]methylidene]amino]-5,6-dihydro-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.099062590 u
Formula C21H17N3O3S
InChI InChI=1S/C21H17N3O3S/c1-12-13(2)18(24(25)26)8-7-15(12)19-9-6-14(27-19)11-23-21-17(10-22)16-4-3-5-20(16)28-21/h6-9,11H,3-5H2,1-2H3/b23-11+
InChIKey HIISUUZYKHUQKD-FOKLQQMPSA-N
Molecular Weight 391.445 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_583
Solvent DMSO-d6
Source Vendor ID: ZI/7048397; Lab Info: SAD; Lab Number: SAD-E300225
Temperature 29.85 °C