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3-benzothiazole-4-cyano-7-methoxycoumarin
SpectraBase Compound ID GFpylDXmgos
InChI InChI=1S/C18H10N2O3S/c1-22-10-6-7-11-12(9-19)16(18(21)23-14(11)8-10)17-20-13-4-2-3-5-15(13)24-17/h2-8H,1H3
InChIKey ABNYMOYSOWVLAW-UHFFFAOYSA-N
Mol Weight 334.35 g/mol
Molecular Formula C18H10N2O3S
Exact Mass 334.041213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1TBchXh3rZ1
Name 3-benzothiazole-4-cyano-7-methoxycoumarin
Appearance Red needle-like crystals
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Formula C18H10N2O3S
InChI InChI=1S/C18H10N2O3S/c1-22-10-6-7-11-12(9-19)16(18(21)23-14(11)8-10)17-20-13-4-2-3-5-15(13)24-17/h2-8H,1H3
InChIKey ABNYMOYSOWVLAW-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 334.349 g/mol
SMILES c12c(ccc(c2)OC)C(=C(C(O1)=O)c1sc2c(n1)cccc2)C#N
SPLASH splash10-001i-0039000000-dbcecf8b31723f3330a7
Source of Spectrum CN102964326A
Wiley ID 1847118