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5-fluoro 7-APAICA

View entire compound with spectra: 3 FTIR, and 1 Raman

5-fluoro 7-APAICA
SpectraBase Compound ID 18ajKtkc2IH
InChI InChI=1S/C23H30FN3O/c24-6-2-1-3-8-27-15-20(19-5-4-7-25-21(19)27)22(28)26-23-12-16-9-17(13-23)11-18(10-16)14-23/h4-5,7,15-18H,1-3,6,8-14H2,(H,26,28)/t16-,17+,18-,23-
InChIKey JYMCNFJJLBFSGH-BRGRSMLUSA-N
Mol Weight 383.51 g/mol
Molecular Formula C23H30FN3O
Exact Mass 383.237291 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID hLWOeaUjl7
Name 5-Fluoro 7-APAICA
Source of Sample Cayman Chemical Company
Catalog Number 23021
Lot Number 0527042-2
Apodization Function Norton-Beer, medium
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Formula C23H30FN3O
IUPAC Name N-((3s,5s,7s)-Adamantan-1-yl)-1-(5-fluoropentyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
InChI InChI=1S/C23H30FN3O/c24-6-2-1-3-8-27-15-20(19-5-4-7-25-21(19)27)22(28)26-23-12-16-9-17(13-23)11-18(10-16)14-23/h4-5,7,15-18H,1-3,6,8-14H2,(H,26,28)/t16-,17+,18-,23-
InChIKey JYMCNFJJLBFSGH-BRGRSMLUSA-N
Instrument Name Bio-Rad FTS
Molecular Weight 383.511 g/mol
SMILES N(C(c1c[n](c2ncccc12)CCCCCF)=O)[C@@]12C[C@@]3(C[C@@](C[C@@](C3)(C1)[H])(C2)[H])[H]
Source of Spectrum Forensic Spectral Research
Synonyms 5-Fluoro AKB48-7N
Technique KBr0