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5H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-5-one, 2-ethyl-7-phenyl-
SpectraBase Compound ID KnxBoJ7etBR
InChI InChI=1S/C13H11N3OS/c1-2-11-15-16-12(17)8-10(14-13(16)18-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKey WTJPLCZCNNXYPX-UHFFFAOYSA-N
Mol Weight 257.31 g/mol
Molecular Formula C13H11N3OS
Exact Mass 257.062283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ag3n5VwHAD
Name 5H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-5-one, 2-ethyl-7-phenyl-
Alternate Name(s) 2-Ethyl-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CAS Registry Number 41837-57-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11N3OS
InChI InChI=1S/C13H11N3OS/c1-2-11-15-16-12(17)8-10(14-13(16)18-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKey WTJPLCZCNNXYPX-UHFFFAOYSA-N
Molecular Weight 257.311 g/mol
SMILES CCC1=NN2C(C=C(c3ccccc3)N=C2S1)=O
SPLASH splash10-0a4i-1290000000-f79595b6ebf227352b85
Source of Spectrum O-19-436-12
Wiley ID 1260684