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5-(ALLYLTHIO)-4-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)-4H-1,2,4-TRIAZOLE-3-ACETALDEHYDE, DIMETHYL ACETAL

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5-(ALLYLTHIO)-4-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)-4H-1,2,4-TRIAZOLE-3-ACETALDEHYDE, DIMETHYL ACETAL
SpectraBase Compound ID 8c2hP1hUu3k
InChI InChI=1S/C16H18F3N3O2S/c1-4-8-25-15-21-20-13(10-14(23-2)24-3)22(15)12-7-5-6-11(9-12)16(17,18)19/h4-7,9,14H,1,8,10H2,2-3H3
InChIKey CSFKOIXWUMWJEV-UHFFFAOYSA-N
Mol Weight 373.39 g/mol
Molecular Formula C16H18F3N3O2S
Exact Mass 373.107182 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CrM61ap8HRN
Name 5-(ALLYLTHIO)-4-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)-4H-1,2,4-TRIAZOLE-3-ACETALDEHYDE, DIMETHYL ACETAL
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18F3N3O2S
InChI InChI=1S/C16H18F3N3O2S/c1-4-8-25-15-21-20-13(10-14(23-2)24-3)22(15)12-7-5-6-11(9-12)16(17,18)19/h4-7,9,14H,1,8,10H2,2-3H3
InChIKey CSFKOIXWUMWJEV-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 373.40
Solvent CDCl3; Reference=TMS; Temperature 297K