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4-fluoro ABUTINACA
SpectraBase Compound ID 8fz4WZkc2eN
InChI InChI=1S/C22H28FN3O/c23-7-3-4-8-26-19-6-2-1-5-18(19)20(25-26)21(27)24-22-12-15-9-16(13-22)11-17(10-15)14-22/h1-2,5-6,15-17H,3-4,7-14H2,(H,24,27)/t15-,16+,17-,22-
InChIKey CBDPDVXPZYOIRM-OMOYSXNNSA-N
Mol Weight 369.48 g/mol
Molecular Formula C22H28FN3O
Exact Mass 369.221641 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 2P6Wf9Uzr6h
Name 4-Fluoro ABUTINACA
Source of Sample Cayman Chemical Company
Catalog Number 30724
Lot Number 0588385-27
Accessory DurasamplIR II
Apodization Function Norton-Beer, medium
CAS Registry Number 1445580-39-1
Copyright Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28FN3O
IUPAC Name 1-(4-Fluorobutyl)-N-tricyclo[3.3.1.13,7]dec-1-yl-1H-indazole-3-carboxamide
InChI InChI=1S/C22H28FN3O/c23-7-3-4-8-26-19-6-2-1-5-18(19)20(25-26)21(27)24-22-12-15-9-16(13-22)11-17(10-15)14-22/h1-2,5-6,15-17H,3-4,7-14H2,(H,24,27)/t15-,16+,17-,22-
InChIKey CBDPDVXPZYOIRM-OMOYSXNNSA-N
Instrument Name Bio-Rad FTS
Molecular Weight 369.484 g/mol
Purity >=98%
SMILES N(C(c1c2ccccc2[n](n1)CCCCF)=O)C12C[C@]3(C[C@@](C2)(C[C@](C3)(C1)[H])[H])[H]
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Synonyms N-(4-Fluorobutyl) APINACA
Technique ATR-Neat
UV - Neutral Conditions UVmax (nm): 212, 304