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1-[2-(2,4-difluorophenyl)-3-(ethylthio)-3,3-difluoro-2-phenylmethoxypropyl]-1,2,4-triazole
SpectraBase Compound ID 9fPwcQsQ0a8
InChI InChI=1S/C20H19F4N3OS/c1-2-29-20(23,24)19(12-27-14-25-13-26-27,17-9-8-16(21)10-18(17)22)28-11-15-6-4-3-5-7-15/h3-10,13-14H,2,11-12H2,1H3
InChIKey JLZDMXBCMHQPCP-UHFFFAOYSA-N
Mol Weight 425.45 g/mol
Molecular Formula C20H19F4N3OS
Exact Mass 425.118496 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fFjOdM37Qz
Name 1-[2-(2,4-difluorophenyl)-3-(ethylthio)-3,3-difluoro-2-phenylmethoxypropyl]-1,2,4-triazole
Alternate Name(s) 1-[2-(2,4-difluorophenyl)-3-ethylsulfanyl-3,3-difluoro-2-phenylmethoxypropyl]-1,2,4-triazole 1-[2-benzoxy-2-(2,4-difluorophenyl)-3-(ethylthio)-3,3-difluoro-propyl]-1,2,4-triazole 1-[2-benzyloxy-2-(2,4-difluorophenyl)-3-ethylsulfanyl-3,3-difluoro-propyl]-1,2,4-triazole 1-[2-[2,4-bis(fluoranyl)phenyl]-3-ethylsulfanyl-3,3-bis(fluoranyl)-2-phenylmethoxy-propyl]-1,2,4-triazole
Comments Less than 3 mono-isotopic peaks
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Formula C20H19F4N3OS
InChI InChI=1S/C20H19F4N3OS/c1-2-29-20(23,24)19(12-27-14-25-13-26-27,17-9-8-16(21)10-18(17)22)28-11-15-6-4-3-5-7-15/h3-10,13-14H,2,11-12H2,1H3
InChIKey JLZDMXBCMHQPCP-UHFFFAOYSA-N
Molecular Weight 425.446 g/mol
SMILES c1n[n](cn1)CC(C(F)(F)SCC)(c1c(cc(cc1)F)F)OCc1ccccc1
SPLASH splash10-000i-0090000000-3ef2fa6d17375f58918b
Source of Spectrum E2-49-180-10
Wiley ID 1555586