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2H-1-Benzopyran-2-one, 7-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]-4-phenyl-
SpectraBase Compound ID BB1sysLPTiR
InChI InChI=1S/C19H14N2O3S/c1-12-20-21-18(25-12)11-23-14-7-8-15-16(13-5-3-2-4-6-13)10-19(22)24-17(15)9-14/h2-10H,11H2,1H3
InChIKey PTIIZTDAZWJDAC-UHFFFAOYSA-N
Mol Weight 350.39 g/mol
Molecular Formula C19H14N2O3S
Exact Mass 350.072513 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LtSVVabiYxi
Name 2H-1-Benzopyran-2-one, 7-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]-4-phenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.072513490 u
Formula C19H14N2O3S
InChI InChI=1S/C19H14N2O3S/c1-12-20-21-18(25-12)11-23-14-7-8-15-16(13-5-3-2-4-6-13)10-19(22)24-17(15)9-14/h2-10H,11H2,1H3
InChIKey PTIIZTDAZWJDAC-UHFFFAOYSA-N
Molecular Weight 350.392 g/mol
SMILES C1(=CC(OC=2C=C(C=CC12)OCC1=NN=C(S1)C)=O)C1=CC=CC=C1