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Ethyl 3-allyl-8-benzamido-3,4-dihydro-2H-thieno[3,2-h][1,3]benzoxazine-7-carboxylate
SpectraBase Compound ID 5FzNEBRBvhR
InChI InChI=1S/C23H22N2O4S/c1-3-12-25-13-16-10-11-17-18(23(27)28-4-2)22(30-20(17)19(16)29-14-25)24-21(26)15-8-6-5-7-9-15/h3,5-11H,1,4,12-14H2,2H3,(H,24,26)
InChIKey JFRJTJQNRGMBKA-UHFFFAOYSA-N
Mol Weight 422.5 g/mol
Molecular Formula C23H22N2O4S
Exact Mass 422.130028 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JSHmfei6Be0
Name 2H-thieno[3,2-h][1,3]benzoxazine-7-carboxylic acid, 8-(benzoylamino)-3,4-dihydro-3-(2-propenyl)-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.130028366 u
Formula C23H22N2O4S
InChI InChI=1S/C23H22N2O4S/c1-3-12-25-13-16-10-11-17-18(23(27)28-4-2)22(30-20(17)19(16)29-14-25)24-21(26)15-8-6-5-7-9-15/h3,5-11H,1,4,12-14H2,2H3,(H,24,26)
InChIKey JFRJTJQNRGMBKA-UHFFFAOYSA-N
Molecular Weight 422.499 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3165
Solvent DMSO-d6
Source Vendor ID: NMR/9258569; Lab Info: *1022675*; Lab Number: BAS 1022675
Temperature 29.85 °C