4-Allyl-5-[1-(4-chlorophenoxy)ethyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione

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Systematic / IUPAC Name: 4-Allyl-5-[1-(4-chlorophenoxy)ethyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione

ID: Reference4571

Other Names: 3H-1,2,4-Triazole-3-thione, 5-[1-(4-chlorophenoxy)ethyl]-2,4-dihydro-4-(2-propen-1-yl)-

Formula: C13H14ClN3OS

Spectral Data

4-Allyl-5-[1-(4-chlorophenoxy)ethyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 236
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/15/2016 9:38:19 AM
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Identificators

InChI InChI=1S/C13H14ClN3OS/c1-3-8-17-12(15-16-13(17)19)9(2)18-11-6-4-10(14)5-7-11/h3-7,9H,1,8H2,2H3,(H,16,19)
InChI Key XJJBRAXNGPCVIZ-UHFFFAOYSA-N
Canonical SMILES CC(C1=NNC(=S)N1CC=C)OC2=CC=C(C=C2)Cl
CAS
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Other Names 3H-1,2,4-Triazole-3-thione, 5-[1-(4-chlorophenoxy)ethyl]-2,4-dihydro-4-(2-propen-1-yl)-

In Other Databases

ChemSpider 2096528
PubChem 2818260