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5-(Phenoxy)methyl-2-amino-1,3,4-thiadiazoles
SpectraBase Compound ID Ki3AvrVAt7F
InChI InChI=1S/C9H9N3OS/c10-9-12-11-8(14-9)6-13-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12)
InChIKey CLQBSPRBHILXIC-UHFFFAOYSA-N
Mol Weight 207.25 g/mol
Molecular Formula C9H9N3OS
Exact Mass 207.046633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Ku2EBxpjYU
Name 5-(Phenoxy)methyl-2-amino-1,3,4-thiadiazoles
CAS Registry Number 121068-32-4
Comments Less than 3 mono-isotopic peaks
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Formula C9H9N3OS
InChI InChI=1S/C9H9N3OS/c10-9-12-11-8(14-9)6-13-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12)
InChIKey CLQBSPRBHILXIC-UHFFFAOYSA-N
Molecular Weight 207.251 g/mol
SMILES Nc1sc(nn1)COc1ccccc1
SPLASH splash10-0a4i-0090000000-d569a57f687b4dbc01d8
Source of Spectrum G2-19-218-5s
Synonyms 5-(Phenoxymethyl)-1,3,4-thiadiazol-2-amine 1,3,4-Thiadiazol-2-amine, 5-phenoxymethyl- [5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]amine
Wiley ID 1705318