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

*Links on SpectraBase are not permalinks.
3-(10,11-Dihydro-5H-dibenzo-[B,F]-azepin-5-yl)-N-methyl-N-[(trifluoromethyl)-sulfanyl]-propan-1-amine
SpectraBase Compound ID A9qkxfwl0FT
InChI InChI=1S/C19H21F3N2S/c1-23(25-19(20,21)22)13-6-14-24-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)24/h2-5,7-10H,6,11-14H2,1H3
InChIKey ZZWPDESTROPNDH-UHFFFAOYSA-N
Mol Weight 366.45 g/mol
Molecular Formula C19H21F3N2S
Exact Mass 366.137754 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C 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 EJWwkcEfpmp
Name 3-(10,11-Dihydro-5H-dibenzo-[B,F]-azepin-5-yl)-N-methyl-N-[(trifluoromethyl)-sulfanyl]-propan-1-amine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.137754347 u
Formula C19H21F3N2S
InChI InChI=1S/C19H21F3N2S/c1-23(25-19(20,21)22)13-6-14-24-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)24/h2-5,7-10H,6,11-14H2,1H3
InChIKey ZZWPDESTROPNDH-UHFFFAOYSA-N
Molecular Weight 366.446 g/mol
SMILES C=12N(C=3C(CCC1C=CC=C2)=CC=CC3)CCCN(C)SC(F)(F)F