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benzo[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-13(7H)-one, 3-bromo-4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-8,9,10,11-tetrahydro-
SpectraBase Compound ID 6Suuh5ydVOU
InChI InChI=1S/C22H28BrN3O3S/c1-22(2,3)24-11-13(27)12-29-18-15(23)9-8-14-17-20(30-19(14)18)25-16-7-5-4-6-10-26(16)21(17)28/h8-9,13,24,27H,4-7,10-12H2,1-3H3
InChIKey ZAARFZYOQXXPIJ-UHFFFAOYSA-N
Mol Weight 494.45 g/mol
Molecular Formula C22H28BrN3O3S
Exact Mass 493.103476 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GqoEuc7gIhM
Name benzo[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-13(7H)-one, 3-bromo-4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-8,9,10,11-tetrahydro-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 493.103475945 u
Formula C22H28BrN3O3S
InChI InChI=1S/C22H28BrN3O3S/c1-22(2,3)24-11-13(27)12-29-18-15(23)9-8-14-17-20(30-19(14)18)25-16-7-5-4-6-10-26(16)21(17)28/h8-9,13,24,27H,4-7,10-12H2,1-3H3
InChIKey ZAARFZYOQXXPIJ-UHFFFAOYSA-N
Molecular Weight 494.448 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3164
Solvent DMSO-d6
Source Vendor ID: NMR/9258568; Lab Info: *1026660*; Lab Number: BAS 1026660
Temperature 29.85 °C