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Acetic acid (R)-cyano-[5-(6-methyl-benzothiazol-2-yl)-furan-2-yl]-methyl ester
SpectraBase Compound ID 2xo74U9YvYJ
InChI InChI=1S/C16H12N2O3S/c1-9-3-4-11-15(7-9)22-16(18-11)13-6-5-12(21-13)14(8-17)20-10(2)19/h3-7,14H,1-2H3/t14-/m1/s1
InChIKey HPUIGBQCACQHOH-CQSZACIVSA-N
Mol Weight 312.34 g/mol
Molecular Formula C16H12N2O3S
Exact Mass 312.056863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FP3wKUZSadA
Name Acetic acid (R)-cyano-[5-(6-methyl-benzothiazol-2-yl)-furan-2-yl]-methyl ester
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Formula C16H12N2O3S
InChI InChI=1S/C16H12N2O3S/c1-9-3-4-11-15(7-9)22-16(18-11)13-6-5-12(21-13)14(8-17)20-10(2)19/h3-7,14H,1-2H3/t14-/m1/s1
InChIKey HPUIGBQCACQHOH-CQSZACIVSA-N
Molecular Weight 312.343 g/mol
SMILES c1(nc2ccc(cc2s1)C)-c1oc([C@@](C#N)(OC(=O)C)[H])cc1
SPLASH splash10-0uk9-0091000000-d5c70265e54017fdb238
Source of Spectrum KD-14-626-2
Synonyms (R)-cyano[5-(6-methyl-1,3-benzothiazol-2-yl)-2-furyl]methyl acetate 5-(6-Methylbenzothiazol-2-yl)furan-2-ylcyanomethylacetate
Wiley ID 1635861