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7-Trifluoromethoxy-cis-2-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
SpectraBase Compound ID Dks01SOmPbG
InChI InChI=1S/C16H16F3NO3/c1-9-2-5-15(22-9)14-8-11(21)6-10-7-12(23-16(17,18)19)3-4-13(10)20-14/h2-5,7,11,14,20-21H,6,8H2,1H3/t11-,14+/m1/s1
InChIKey JWBCYOOOXOLSER-RISCZKNCSA-N
Mol Weight 327.3 g/mol
Molecular Formula C16H16F3NO3
Exact Mass 327.108228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ER4pGyvsZX
Name 7-Trifluoromethoxy-cis-2-(5-methylfuran-2-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16F3NO3
InChI InChI=1S/C16H16F3NO3/c1-9-2-5-15(22-9)14-8-11(21)6-10-7-12(23-16(17,18)19)3-4-13(10)20-14/h2-5,7,11,14,20-21H,6,8H2,1H3/t11-,14+/m1/s1
InChIKey JWBCYOOOXOLSER-RISCZKNCSA-N
Literature Reference DOI 10.1016/j.ejmech.2014.08.055
Molecular Weight 327.303 g/mol
SMILES N1[C@@](C[C@@](Cc2c1ccc(OC(F)(F)F)c2)(O)[H])(c1oc(cc1)C)[H]
SPLASH splash10-000i-0900000000-98a4b54d5f52dbe8c7a2
Source of Spectrum EMC-86-306-15h
Synonyms (2S,4R)-2-(5-methylfuran-2-yl)-7-(trifluoromethoxy)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-4-ol
Wiley ID 1748038