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1H-dibenzo[b,e][1,4]diazepin-1-one, 2,3,4,5,10,11-hexahydro-3,3,7,8-tetramethyl-11-(5-nitro-2-thienyl)-
SpectraBase Compound ID Da8fMghv0iU
InChI InChI=1S/C21H23N3O3S/c1-11-7-13-14(8-12(11)2)23-20(17-5-6-18(28-17)24(26)27)19-15(22-13)9-21(3,4)10-16(19)25/h5-8,20,22-23H,9-10H2,1-4H3
InChIKey YQUXWNJXUAXPHQ-UHFFFAOYSA-N
Mol Weight 397.49 g/mol
Molecular Formula C21H23N3O3S
Exact Mass 397.146013 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BDmzxZWsXBS
Name 1H-dibenzo[b,e][1,4]diazepin-1-one, 2,3,4,5,10,11-hexahydro-3,3,7,8-tetramethyl-11-(5-nitro-2-thienyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.146012784 u
Formula C21H23N3O3S
InChI InChI=1S/C21H23N3O3S/c1-11-7-13-14(8-12(11)2)23-20(17-5-6-18(28-17)24(26)27)19-15(22-13)9-21(3,4)10-16(19)25/h5-8,20,22-23H,9-10H2,1-4H3
InChIKey YQUXWNJXUAXPHQ-UHFFFAOYSA-N
Molecular Weight 397.493 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6798
Solvent DMSO-d6
Source Vendor ID: NMR/10220457; Lab Info: SAS; Lab Number: SAS-tst3455
Temperature 29.85 °C