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Fluorobenztropine

View entire compound with spectra: 1 NMR

Fluorobenztropine
SpectraBase Compound ID GBInVQEncsP
InChI InChI=1S/C21H23F2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3/t18-,19+,20?
InChIKey MHNSOBBJZCWUGS-YOFSQIOKSA-N
Mol Weight 343.42 g/mol
Molecular Formula C21H23F2NO
Exact Mass 343.174771 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3cP3bnAfG3w
Name Fluorobenztropine
Comments Computed using HOSE algorithm
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Exact Mass 343.174770690 u
Formula C21H23F2NO
InChI InChI=1S/C21H23F2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3/t18-,19+,20?
InChIKey MHNSOBBJZCWUGS-YOFSQIOKSA-N
Molecular Weight 343.418 g/mol
SMILES C(C=1C=CC(=CC1)F)(C1=CC=C(C=C1)F)OC1C[C@]2(N([C@@](C1)(CC2)[H])C)[H]