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2-(4-Methoxyphenyl)-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one
SpectraBase Compound ID 3bdYPP1aKJR
InChI InChI=1S/C12H9N3O2S/c1-17-9-4-2-8(3-5-9)11-14-15-10(16)6-7-13-12(15)18-11/h2-7H,1H3
InChIKey KSGAGCCWZMJODM-UHFFFAOYSA-N
Mol Weight 259.28 g/mol
Molecular Formula C12H9N3O2S
Exact Mass 259.041548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6sMCgutfRcM
Name 2-(4-Methoxyphenyl)-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N3O2S
InChI InChI=1S/C12H9N3O2S/c1-17-9-4-2-8(3-5-9)11-14-15-10(16)6-7-13-12(15)18-11/h2-7H,1H3
InChIKey KSGAGCCWZMJODM-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C4RA02714K
Molecular Weight 259.283 g/mol
SMILES C12=NC=CC(N2N=C(S1)c1ccc(cc1)OC)=O
SPLASH splash10-0pba-9760000000-fbe3de7d1d20a195d071
Source of Spectrum RSA-4-55827/SM4-3d
Synonyms 2-(4-Methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Wiley ID 1805478