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2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol
SpectraBase Compound ID ETtXaTkJENJ
InChI InChI=1S/C12H11F3N2O/c13-12(14,15)11-7-9(16-5-6-17-11)8-3-1-2-4-10(8)18/h1-4,7,17-18H,5-6H2
InChIKey CMQDEGPVXPBAOY-UHFFFAOYSA-N
Mol Weight 256.23 g/mol
Molecular Formula C12H11F3N2O
Exact Mass 256.082347 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2fVpAkF7xo
Name 2-[7-(Trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol
CAS Registry Number 240417-93-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11F3N2O
InChI InChI=1S/C12H11F3N2O/c13-12(14,15)11-7-9(16-5-6-17-11)8-3-1-2-4-10(8)18/h1-4,7,17-18H,5-6H2
InChIKey CMQDEGPVXPBAOY-UHFFFAOYSA-N
Molecular Weight 256.228 g/mol
SMILES N1C(=CC(c2c(cccc2)O)=NCC1)C(F)(F)F
SPLASH splash10-0a4i-9740000000-35873e020457eb18e62d
Synonyms Phenol, 2-(2,3-dihydro-7-trifluoromethyl-1H-1,4-diazepin-5-yl)-
Wiley ID 1457227