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3-(3-Chloro-[1,2,4]triazol-1-yl)-adamantane-1-carboxylic acid (3,5-difluoro-phenyl)-amide
SpectraBase Compound ID ArxlJzA9pyO
InChI InChI=1S/C19H19ClF2N4O/c20-17-23-10-26(25-17)19-7-11-1-12(8-19)6-18(5-11,9-19)16(27)24-15-3-13(21)2-14(22)4-15/h2-4,10-12H,1,5-9H2,(H,24,27)/t11-,12+,18+,19-
InChIKey IBTDTMXESPMQJO-WWEJGBHESA-N
Mol Weight 392.84 g/mol
Molecular Formula C19H19ClF2N4O
Exact Mass 392.121545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4x9M8ijIuvV
Name 3-(3-Chloro-[1,2,4]triazol-1-yl)-adamantane-1-carboxylic acid (3,5-difluoro-phenyl)-amide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19ClF2N4O
InChI InChI=1S/C19H19ClF2N4O/c20-17-23-10-26(25-17)19-7-11-1-12(8-19)6-18(5-11,9-19)16(27)24-15-3-13(21)2-14(22)4-15/h2-4,10-12H,1,5-9H2,(H,24,27)/t11-,12+,18+,19-
InChIKey IBTDTMXESPMQJO-WWEJGBHESA-N
Molecular Weight 392.838 g/mol
SMILES N(C(=O)[C@]12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[n]1cnc(n1)Cl)[H])[H])c1cc(cc(c1)F)F
SPLASH splash10-0019-7940000000-62a7cecbf5f6906b4cdc
Synonyms 3-(3-Chloro-1,2,4-triazol-1-yl)-N-(3,5-difluorophenyl)-1-adamantanecarboxamide 3-(3-Chloro-1,2,4-triazol-1-yl)-N-(3,5-difluorophenyl)adamantane-1-carboxamide 3-(3-Chloro-1H-1,2,4-triazol-1-yl)-N-(3,5-difluorophenyl)-1-adamantanecarboxamide N-[3,5-bis(fluoranyl)phenyl]-3-(3-chloranyl-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Wiley ID 1463713