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1-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one
SpectraBase Compound ID JtJtKDsOq4t
InChI InChI=1S/C11H11N3OS/c1-8(15)7-16-11-12-10(13-14-11)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,13,14)
InChIKey MCZYFMZUQYDUNX-UHFFFAOYSA-N
Mol Weight 233.29 g/mol
Molecular Formula C11H11N3OS
Exact Mass 233.062283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1s7kNlg8jw
Name 1-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one
CAS Registry Number 74829-39-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11N3OS
InChI InChI=1S/C11H11N3OS/c1-8(15)7-16-11-12-10(13-14-11)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,13,14)
InChIKey MCZYFMZUQYDUNX-UHFFFAOYSA-N
Molecular Weight 233.289 g/mol
SMILES [nH]1nc(nc1-c1ccccc1)SCC(=O)C
SPLASH splash10-0006-6910000000-74273341c709dfc30ad8
Source of Spectrum O-15-173-1
Synonyms 1-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-2-propanone 1-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetone
Wiley ID 1234697