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3-(2-Methyl-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-butanone
SpectraBase Compound ID CTc9VQSwJwP
InChI InChI=1S/C13H16N2OS/c1-9(10(2)16)13(3)15-14-12(17-13)11-7-5-4-6-8-11/h4-9,15H,1-3H3
InChIKey KHUSVBXALFEWBW-UHFFFAOYSA-N
Mol Weight 248.34 g/mol
Molecular Formula C13H16N2OS
Exact Mass 248.098334 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LVzMvd0AmR2
Name 3-(2-Methyl-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-butanone
Alternate Name(s) 1,3,4-Thiadiazole, 4,5-dihydro-2-phenyl-5-methyl-5-(butan-3-on-2-yl)- 3-(2-Methyl-5-phenyl-3H-1,3,4-thiadiazol-2-yl)-2-butanone 3-(2-Methyl-5-phenyl-3H-1,3,4-thiadiazol-2-yl)butan-2-one
CAS Registry Number 350581-79-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2OS
InChI InChI=1S/C13H16N2OS/c1-9(10(2)16)13(3)15-14-12(17-13)11-7-5-4-6-8-11/h4-9,15H,1-3H3
InChIKey KHUSVBXALFEWBW-UHFFFAOYSA-N
Molecular Weight 248.344 g/mol
SMILES N1C(SC(=N1)c1ccccc1)(C(C(=O)C)C)C
SPLASH splash10-002f-9400000000-d999dfcfbf99f1dd2c66
Source of Spectrum AD-0-2532-0
Wiley ID 1422439