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5-fluoro-tert-Butylbenzyl-PINACA
SpectraBase Compound ID Ky9sOrAPYYD
InChI InChI=1S/C24H30FN3O/c1-24(2,3)22(18-12-6-4-7-13-18)26-23(29)21-19-14-8-9-15-20(19)28(27-21)17-11-5-10-16-25/h4,6-9,12-15,22H,5,10-11,16-17H2,1-3H3,(H,26,29)
InChIKey XRAMUHKDZOPJDF-UHFFFAOYSA-N
Mol Weight 395.52 g/mol
Molecular Formula C24H30FN3O
Exact Mass 395.237291 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DuCBPxvDjP0
Name 5-Fluoro-tert-Butylbenzyl-PINACA
Alternate Name(s) N-(2,2-dimethyl-1-phenylpropyl)-1-(5-fluoropentyl)-1H-indazole-3-carboxamide 5-Fluoro-TBB-PINACA
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30FN3O
InChI InChI=1S/C24H30FN3O/c1-24(2,3)22(18-12-6-4-7-13-18)26-23(29)21-19-14-8-9-15-20(19)28(27-21)17-11-5-10-16-25/h4,6-9,12-15,22H,5,10-11,16-17H2,1-3H3,(H,26,29)
InChIKey XRAMUHKDZOPJDF-UHFFFAOYSA-N
Molecular Weight 395.522 g/mol
SMILES N(C(c1ccccc1)C(C)(C)C)C(c1c2ccccc2[n](CCCCCF)n1)=O
SPLASH splash10-001i-4794000000-b5aeb89514fa6d0807dc
Source of Spectrum SWG-33-4873-0
Wiley ID 1811460