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(2E)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-3-(2-thienyl)-2-propenamide
SpectraBase Compound ID L1gSbxxBwDF
InChI InChI=1S/C17H16N2OS2/c18-11-14-13-6-2-1-3-7-15(13)22-17(14)19-16(20)9-8-12-5-4-10-21-12/h4-5,8-10H,1-3,6-7H2,(H,19,20)/b9-8+
InChIKey JBVJVNXBRXNNFC-CMDGGOBGSA-N
Mol Weight 328.45 g/mol
Molecular Formula C17H16N2OS2
Exact Mass 328.070405 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JV2XEHnZLDX
Name (2E)-N-(3-Cyano-5,6,7,8-tetrahydro-4H-cyclohepta[B]thien-2-yl)-3-(2-thienyl)-2-propenamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.070405490 u
Formula C17H16N2OS2
InChI InChI=1S/C17H16N2OS2/c18-11-14-13-6-2-1-3-7-15(13)22-17(14)19-16(20)9-8-12-5-4-10-21-12/h4-5,8-10H,1-3,6-7H2,(H,19,20)/b9-8+
InChIKey JBVJVNXBRXNNFC-CMDGGOBGSA-N
Molecular Weight 328.448 g/mol
SMILES N(C1=C(C=2CCCCCC2S1)C#N)C(\C=C\C=1SC=CC1)=O