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2-Amino-4,5-dihydro-4-(thiophen-3-yl)-5-oxopyrano[3,2-c]chromene-3-carbonitrile

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2-Amino-4,5-dihydro-4-(thiophen-3-yl)-5-oxopyrano[3,2-c]chromene-3-carbonitrile
SpectraBase Compound ID 5A81pFHrvqo
InChI InChI=1S/C17H10N2O3S/c18-7-11-13(9-5-6-23-8-9)14-15(22-16(11)19)10-3-1-2-4-12(10)21-17(14)20/h1-6,8,13H,19H2
InChIKey RGLBXTCKGRPLSF-UHFFFAOYSA-N
Mol Weight 322.34 g/mol
Molecular Formula C17H10N2O3S
Exact Mass 322.041213 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AAHdZrL2aFS
Name 2-Amino-4,5-dihydro-4-(thiophen-3-yl)-5-oxopyrano[3,2-C]chromene-3-carbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.041213361 u
Formula C17H10N2O3S
InChI InChI=1S/C17H10N2O3S/c18-7-11-13(9-5-6-23-8-9)14-15(22-16(11)19)10-3-1-2-4-12(10)21-17(14)20/h1-6,8,13H,19H2
InChIKey RGLBXTCKGRPLSF-UHFFFAOYSA-N
Molecular Weight 322.338 g/mol
SMILES C1(C2=C(C=3C=CC=CC3O1)OC(=C(C2C1=CSC=C1)C#N)N)=O