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methyl 2-amino-7,7-dimethyl-5-oxo-4-(2-thienyl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

View entire compound with spectra: 2 NMR

methyl 2-amino-7,7-dimethyl-5-oxo-4-(2-thienyl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
SpectraBase Compound ID FjERN294JcF
InChI InChI=1S/C17H19NO4S/c1-17(2)7-9(19)12-10(8-17)22-15(18)14(16(20)21-3)13(12)11-5-4-6-23-11/h4-6,13H,7-8,18H2,1-3H3
InChIKey HPGUVJXGSOQLHH-UHFFFAOYSA-N
Mol Weight 333.4 g/mol
Molecular Formula C17H19NO4S
Exact Mass 333.103479 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jgpgf4h5QZB
Name Methyl 2-amino-7,7-dimethyl-5-oxo-4-(2-thienyl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.103479266 u
Formula C17H19NO4S
InChI InChI=1S/C17H19NO4S/c1-17(2)7-9(19)12-10(8-17)22-15(18)14(16(20)21-3)13(12)11-5-4-6-23-11/h4-6,13H,7-8,18H2,1-3H3
InChIKey HPGUVJXGSOQLHH-UHFFFAOYSA-N
Molecular Weight 333.402 g/mol
SMILES NC1=C(C(C2=C(CC(CC2=O)(C)C)O1)C=1SC=CC1)C(=O)OC