For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-TRIFLUOROMETHYL-2-(4-BROMOMETHYLPHENYL)-1,3,5-BENZOTHIADIAZEPIN-4-ONE
SpectraBase Compound ID 2kBEWDCrlVZ
InChI InChI=1S/C16H12BrF3N2OS/c17-9-10-5-7-11(8-6-10)15(16(18,19)20)22-14(23)21-12-3-1-2-4-13(12)24-15/h1-8H,9H2,(H2,21,22,23)
InChIKey ICECWAPWSTXIGB-UHFFFAOYSA-N
Mol Weight 417.24 g/mol
Molecular Formula C16H12BrF3N2OS
Exact Mass 415.980582 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7Qu1LmdEKG3
Name 2-TRIFLUOROMETHYL-2-(4-BROMOMETHYLPHENYL)-1,3,5-BENZOTHIADIAZEPIN-4-ONE
Comments ;WP-200 (BRUKER)
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C16H12BrF3N2OS
InChI InChI=1S/C16H12BrF3N2OS/c17-9-10-5-7-11(8-6-10)15(16(18,19)20)22-14(23)21-12-3-1-2-4-13(12)24-15/h1-8H,9H2,(H2,21,22,23)
InChIKey ICECWAPWSTXIGB-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference M.V.VOVK, V.I.DOROKHOV, L.I.SAMARAI (1989) Zhurn.Org.Khim.(Russ. Lang.): v.25,N11, 2394-2399.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6