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Atropine TFA @

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Atropine TFA @
SpectraBase Compound ID BzkYR2GACbA
InChI InChI=1S/C19H22F3NO4/c1-23-13-7-8-14(23)10-15(9-13)27-17(24)16(12-5-3-2-4-6-12)11-26-18(25)19(20,21)22/h2-6,13-16H,7-11H2,1H3/t13-,14+,15?,16?
InChIKey GKYJCGNZIDENFC-PJPHBNEVSA-N
Mol Weight 385.38 g/mol
Molecular Formula C19H22F3NO4
Exact Mass 385.150093 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Io37eHdpJ0l
Name Atropine tfa @P1381
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 385.150092677 u
Formula C19H22F3NO4
InChI InChI=1S/C19H22F3NO4/c1-23-13-7-8-14(23)10-15(9-13)27-17(24)16(12-5-3-2-4-6-12)11-26-18(25)19(20,21)22/h2-6,13-16H,7-11H2,1H3/t13-,14+,15?,16?
InChIKey GKYJCGNZIDENFC-PJPHBNEVSA-N
Molecular Weight 385.383 g/mol
SMILES C1=CC=C(C=C1)C(C(OC1C[C@@]2(N([C@](C1)(CC2)[H])C)[H])=O)COC(C(F)(F)F)=O