John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=3BS9XAaHBy SpectraBase Spectrum ID=1IzTK7JqtkV

(accessed ).
3,5-dibromo-4-[3-(dipropylamino)propoxy]phenyl-2-ethylbenzo[b]thien-3-yl ketone, hydrochloride
SpectraBase Compound ID 3BS9XAaHBy
InChI InChI=1S/C26H31Br2NO2S.ClH/c1-4-12-29(13-5-2)14-9-15-31-26-20(27)16-18(17-21(26)28)25(30)24-19-10-7-8-11-23(19)32-22(24)6-3;/h7-8,10-11,16-17H,4-6,9,12-15H2,1-3H3;1H
InChIKey YLMIIKWCFVPBQT-UHFFFAOYSA-N
Mol Weight 617.9 g/mol
Molecular Formula C26H32Br2ClNO2S
Exact Mass 615.020901 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1IzTK7JqtkV
Name 3,5-DIBROMO-4-[3-(DIPROPYLAMINO)PROPOXY]PHENYL-2-ETHYLBENZO[b]THIEN-3-YL KETONE, HYDROCHLORIDE
Source of Sample N. Claeys, S. A. Labaz N. V. Brussels, Belgium
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H31Br2NO2S HCl
InChI InChI=1S/C26H31Br2NO2S.ClH/c1-4-12-29(13-5-2)14-9-15-31-26-20(27)16-18(17-21(26)28)25(30)24-19-10-7-8-11-23(19)32-22(24)6-3;/h7-8,10-11,16-17H,4-6,9,12-15H2,1-3H3;1H
InChIKey YLMIIKWCFVPBQT-UHFFFAOYSA-N
Melting Point 152C
Molecular Weight 617.89
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
SpectraBase Batch ID LeOQY8GiV7y
Synonyms KETONE, 3,5-DIBROMO-4-/3-/DIPROPYLAMINO/PROPOXY/PHENYL 2-ETHYLBENZO/B/THIEN-3-YL, HYDROCHLORIDE