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2-(2,4-dichlorophenyl)-1,1-bis(fluoranyl)-1-methylsulfanyl-3-(1,2,4-triazol-1-yl)propan-2-ol
SpectraBase Compound ID A91j3aZqx2l
InChI InChI=1S/C12H11Cl2F2N3OS/c1-21-12(15,16)11(20,5-19-7-17-6-18-19)9-3-2-8(13)4-10(9)14/h2-4,6-7,20H,5H2,1H3
InChIKey OADBPDQPRJMVTH-UHFFFAOYSA-N
Mol Weight 354.2 g/mol
Molecular Formula C12H11Cl2F2N3OS
Exact Mass 352.996795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Mt5o6xbJjx
Name 2-(2,4-dichlorophenyl)-1,1-bis(fluoranyl)-1-methylsulfanyl-3-(1,2,4-triazol-1-yl)propan-2-ol
Alternate Name(s) 2-(2,4-dichlorophenyl)-1,1-difluoro-1-(methylthio)-3-(1,2,4-triazol-1-yl)-2-propanol 2-(2,4-dichlorophenyl)-1,1-difluoro-1-(methylthio)-3-(1,2,4-triazol-1-yl)propan-2-ol 2-(2,4-dichlorophenyl)-1,1-difluoro-1-methylsulfanyl-3-(1,2,4-triazol-1-yl)propan-2-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11Cl2F2N3OS
InChI InChI=1S/C12H11Cl2F2N3OS/c1-21-12(15,16)11(20,5-19-7-17-6-18-19)9-3-2-8(13)4-10(9)14/h2-4,6-7,20H,5H2,1H3
InChIKey OADBPDQPRJMVTH-UHFFFAOYSA-N
Molecular Weight 354.203 g/mol
SMILES OC(C(SC)(F)F)(C[n]1ncnc1)c1c(cc(cc1)Cl)Cl
SPLASH splash10-03di-0091000000-0284c02052734368d6ec
Source of Spectrum E2-49-180-9
Wiley ID 1555593