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3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol
SpectraBase Compound ID 5q1G7se7BQz
InChI InChI=1S/C16H13N3O3S/c20-12-3-1-2-10(8-12)15-17-18-16(23)19(15)11-4-5-13-14(9-11)22-7-6-21-13/h1-5,8-9,20H,6-7H2,(H,18,23)
InChIKey JEKIFNSXQFSNHX-UHFFFAOYSA-N
Mol Weight 327.36 g/mol
Molecular Formula C16H13N3O3S
Exact Mass 327.067762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 66t4TzsNFm3
Name 3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol
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Formula C16H13N3O3S
InChI InChI=1S/C16H13N3O3S/c20-12-3-1-2-10(8-12)15-17-18-16(23)19(15)11-4-5-13-14(9-11)22-7-6-21-13/h1-5,8-9,20H,6-7H2,(H,18,23)
InChIKey JEKIFNSXQFSNHX-UHFFFAOYSA-N
Molecular Weight 327.358 g/mol
SMILES Sc1nnc(-c2cc(O)ccc2)[n]1-c1cc2OCCOc2cc1
SPLASH splash10-004i-9724000000-fd3e928c7781d337c708
Source of Spectrum IY-2-4750-6
Synonyms Phenol, 3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-mercapto-4H-1,2,4-triazol-3-yl]-
Wiley ID 1655489