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(S)-(-)-N-(pentafluorobenzylcarbamoyl)-amphetamine
SpectraBase Compound ID ETFdjQuV1Ok
InChI InChI=1S/C22H21F5N2O3/c1-12(10-13-6-3-2-4-7-13)28-21(30)15-8-5-9-29(15)22(31)32-11-14-16(23)18(25)20(27)19(26)17(14)24/h2-4,6-7,12,15H,5,8-11H2,1H3,(H,28,30)/t12-,15+/m1/s1
InChIKey YBBNIESAMDEUBK-DOMZBBRYSA-N
Mol Weight 456.41 g/mol
Molecular Formula C22H21F5N2O3
Exact Mass 456.147233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GdquYQSU4Ih
Name (S)-(-)-N-(pentafluorobenzylcarbamoyl)-amphetamine
Alternate Name(s) (perfluorophenyl)methyl (S)-2-(((R)-1-phenylpropan-2-yl)carbamoyl)pyrrolidine-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21F5N2O3
InChI InChI=1S/C22H21F5N2O3/c1-12(10-13-6-3-2-4-7-13)28-21(30)15-8-5-9-29(15)22(31)32-11-14-16(23)18(25)20(27)19(26)17(14)24/h2-4,6-7,12,15H,5,8-11H2,1H3,(H,28,30)/t12-,15+/m1/s1
InChIKey YBBNIESAMDEUBK-DOMZBBRYSA-N
Literature Reference DOI 10.1002/rcm.6146
Molecular Weight 456.413 g/mol
SMILES N(C([C@@]1(CCCN1C(OCc1c(c(c(c(c1F)F)F)F)F)=O)[H])=O)[C@@](Cc1ccccc1)(C)[H]
SPLASH splash10-0fsl-5942000000-529f46cfd022b9d2951e
Source of Spectrum RCM-26-595-Fig2,CpdA
Wiley ID 1814887