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3-quinazolinebutanamide, 1,2,3,4-tetrahydro-4-oxo-N-(phenylmethyl)-2-thioxo-
SpectraBase Compound ID 9gbNZcTBLz
InChI InChI=1S/C19H19N3O2S/c23-17(20-13-14-7-2-1-3-8-14)11-6-12-22-18(24)15-9-4-5-10-16(15)21-19(22)25/h1-5,7-10H,6,11-13H2,(H,20,23)(H,21,25)
InChIKey XOKUQEHSRSMYOO-UHFFFAOYSA-N
Mol Weight 353.44 g/mol
Molecular Formula C19H19N3O2S
Exact Mass 353.119798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7C9JDcepzrI
Name 3-Quinazolinebutanamide, 1,2,3,4-tetrahydro-4-oxo-N-(phenylmethyl)-2-thioxo-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.119798036 u
Formula C19H19N3O2S
InChI InChI=1S/C19H19N3O2S/c23-17(20-13-14-7-2-1-3-8-14)11-6-12-22-18(24)15-9-4-5-10-16(15)21-19(22)25/h1-5,7-10H,6,11-13H2,(H,20,23)(H,21,25)
InChIKey XOKUQEHSRSMYOO-UHFFFAOYSA-N
Molecular Weight 353.440 g/mol
SMILES N(C(CCCN1C(NC=2C(C1=O)=CC=CC2)=S)=O)CC1=CC=CC=C1