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Efinaconazole
SpectraBase Compound ID LktfToyBkvi
InChI InChI=1S/C18H22F2N4O/c1-13-5-7-23(8-6-13)14(2)18(25,10-24-12-21-11-22-24)16-4-3-15(19)9-17(16)20/h3-4,9,11-12,14,25H,1,5-8,10H2,2H3/t14-,18-/m1/s1
InChIKey NFEZZTICAUWDHU-RDTXWAMCSA-N
Mol Weight 348.4 g/mol
Molecular Formula C18H22F2N4O
Exact Mass 348.176168 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 24hLEpFwzuV
Name Efinaconazole
Source of Sample Cayman Chemical Company
Catalog Number 23839
Lot Number 0518294-1
CAS Registry Number 164650-44-6
Cell Type Capillary tube
Compound Type Pure
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22F2N4O
IUPAC Name αR-(2,4-Difluorophenyl)-βR-methyl-4-methylene-α-(1H-1,2,4-triazol-1-ylmethyl)-1-piperidineethanol
InChI InChI=1S/C18H22F2N4O/c1-13-5-7-23(8-6-13)14(2)18(25,10-24-12-21-11-22-24)16-4-3-15(19)9-17(16)20/h3-4,9,11-12,14,25H,1,5-8,10H2,2H3/t14-,18-/m1/s1
InChIKey NFEZZTICAUWDHU-RDTXWAMCSA-N
Raman Corrections Referenced to internal white light source; 180 degree backscatter
Raman Laser Power 1200 mW
Raman Laser Source Nd:YAG
SMILES O[C@@]([C@@](C)(N1CCC(CC1)=C)[H])(C[n]1cncn1)c1ccc(cc1F)F
Scans Performed 2048
Source of Spectrum Forensic Spectral Research
Synonyms KP-103
Technique FT-Raman