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1-(1,3-benzoxazol-2-yl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1,2,4-triazol-1-yl)-2-propanol
SpectraBase Compound ID aFciJvIevp
InChI InChI=1S/C18H12F4N4O2/c19-11-5-6-12(13(20)7-11)17(27,8-26-10-23-9-24-26)18(21,22)16-25-14-3-1-2-4-15(14)28-16/h1-7,9-10,27H,8H2
InChIKey XNUSOSGKGVGNPI-UHFFFAOYSA-N
Mol Weight 392.31 g/mol
Molecular Formula C18H12F4N4O2
Exact Mass 392.089638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8rMNFgPdXP
Name 1-(1,3-benzoxazol-2-yl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1,2,4-triazol-1-yl)-2-propanol
Comments Less than 3 mono-isotopic peaks
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Formula C18H12F4N4O2
InChI InChI=1S/C18H12F4N4O2/c19-11-5-6-12(13(20)7-11)17(27,8-26-10-23-9-24-26)18(21,22)16-25-14-3-1-2-4-15(14)28-16/h1-7,9-10,27H,8H2
InChIKey XNUSOSGKGVGNPI-UHFFFAOYSA-N
Molecular Weight 392.314 g/mol
SMILES OC(C(F)(F)c1oc2c(n1)cccc2)(C[n]1ncnc1)c1c(cc(cc1)F)F
SPLASH splash10-00di-0090000000-5a670ae3d091bcc072da
Source of Spectrum E2-48-989-1
Synonyms 1-(1,3-benzoxazol-2-yl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol 1-(1,3-benzoxazol-2-yl)-2-[2,4-bis(fluoranyl)phenyl]-1,1-bis(fluoranyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
Wiley ID 1555238