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(E)-2-(1,3-benzothiazol-2-yl)-3-[5-(2-methyl-5-nitro-phenyl)-2-furyl]acrylonitrile
SpectraBase Compound ID 5etaUUbyMoP
InChI InChI=1S/C21H13N3O3S/c1-13-6-7-15(24(25)26)11-17(13)19-9-8-16(27-19)10-14(12-22)21-23-18-4-2-3-5-20(18)28-21/h2-11H,1H3/b14-10+
InChIKey OCJSBYMKWMAMMN-GXDHUFHOSA-N
Mol Weight 387.41 g/mol
Molecular Formula C21H13N3O3S
Exact Mass 387.067762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iuc4CzzDfDm
Name (E)-2-(1,3-benzothiazol-2-yl)-3-[5-(2-methyl-5-nitro-phenyl)-2-furyl]acrylonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H13N3O3S
InChI InChI=1S/C21H13N3O3S/c1-13-6-7-15(24(25)26)11-17(13)19-9-8-16(27-19)10-14(12-22)21-23-18-4-2-3-5-20(18)28-21/h2-11H,1H3/b14-10+
InChIKey OCJSBYMKWMAMMN-GXDHUFHOSA-N
Molecular Weight 387.413 g/mol
SMILES c1(nc2ccccc2s1)\C(=C\c1oc(-c2cc(N(=O)=O)ccc2C)cc1)C#N
SPLASH splash10-000i-8679000000-6cade67e10c055646bb6
Synonyms (E)-2-(1,3-benzothiazol-2-yl)-3-[5-(2-methyl-5-nitro-phenyl)-2-furyl]prop-2-enenitrile (E)-2-(1,3-benzothiazol-2-yl)-3-[5-(2-methyl-5-nitro-phenyl)furan-2-yl]prop-2-enenitrile (E)-2-(1,3-benzothiazol-2-yl)-3-[5-(2-methyl-5-nitrophenyl)-2-furanyl]-2-propenenitrile
Wiley ID 1452264