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Atropine TFA
SpectraBase Compound ID KvnirLcPZqp
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-SPUOUPEWSA-N
Mol Weight 385.38 g/mol
Molecular Formula C19H22F3NO4
Exact Mass 385.150093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYafDvNalxA
Name Atropine TFA
Classification Pharmaceutical drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. 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-SPUOUPEWSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 385.383 g/mol
Nominal Mass 385 u
Quality 700
Retention Index 2918
SMILES [C@]1(C[C@@]2(N([C@](C1)(CC2)[H])C)[H])(OC(C(C=1C=CC=CC1)COC(C(F)(F)F)=O)=O)[H]
SPLASH splash10-00ei-9713000000-c57fb6cb87c66a24c30f
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 8-methyl-8-azabicyclo[3.2.1]oct-3-yl-2-phenyl-3-((trifluoroacetyl)oxy)propanoate
Technique GC/MS
Wiley ID DD2024_000187