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N-(1,3-Benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)aniline
SpectraBase Compound ID 7zeKxoOWbIH
InChI InChI=1S/C21H16N2O2S/c1-2-7-20-17(6-1)23-21(26-20)15-4-3-5-16(11-15)22-12-14-8-9-18-19(10-14)25-13-24-18/h1-11,22H,12-13H2
InChIKey BVIHQGKLEOFOFB-UHFFFAOYSA-N
Mol Weight 360.43 g/mol
Molecular Formula C21H16N2O2S
Exact Mass 360.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AMLj5b7vSSw
Name N-(1,3-Benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)aniline
CAS Registry Number 309264-96-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16N2O2S
InChI InChI=1S/C21H16N2O2S/c1-2-7-20-17(6-1)23-21(26-20)15-4-3-5-16(11-15)22-12-14-8-9-18-19(10-14)25-13-24-18/h1-11,22H,12-13H2
InChIKey BVIHQGKLEOFOFB-UHFFFAOYSA-N
Molecular Weight 360.431 g/mol
SMILES N(c1cc(-c2nc3ccccc3s2)ccc1)Cc1cc2OCOc2cc1
SPLASH splash10-000i-1902000000-9ad2bcef76b43782ab46
Synonyms Benzo[1,3]dioxol-5-ylmethyl-(3-benzothiazol-2-yl-phenyl)-amine [3-(1,3-benzothiazol-2-yl)phenyl]-piperonyl-amine
Wiley ID 1459789