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1,3-Benzothiazol-2-ylmethyl (benzylsulfanyl)acetate

View entire compound with spectra: 1 MS (GC)

1,3-Benzothiazol-2-ylmethyl (benzylsulfanyl)acetate
SpectraBase Compound ID DtTfUhq2Izf
InChI InChI=1S/C17H15NO2S2/c19-17(12-21-11-13-6-2-1-3-7-13)20-10-16-18-14-8-4-5-9-15(14)22-16/h1-9H,10-12H2
InChIKey JNUGUHRFOMWZAX-UHFFFAOYSA-N
Mol Weight 329.43 g/mol
Molecular Formula C17H15NO2S2
Exact Mass 329.054421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 88jfwsSrLVb
Name 1,3-Benzothiazol-2-ylmethyl (benzylsulfanyl)acetate
Alternate Name(s) 1,3-benzothiazol-2-ylmethyl 2-(phenylmethylsulfanyl)ethanoate 1,3-benzothiazol-2-ylmethyl 2-benzylsulfanylacetate 2-(benzylthio)acetic acid 1,3-benzothiazol-2-ylmethyl ester 2-(Phenylmethylthio)acetic acid 1,3-benzothiazol-2-ylmethyl ester Benzylsulfanylacetic acid, (benzothiazol-2-yl)methyl ester
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Formula C17H15NO2S2
InChI InChI=1S/C17H15NO2S2/c19-17(12-21-11-13-6-2-1-3-7-13)20-10-16-18-14-8-4-5-9-15(14)22-16/h1-9H,10-12H2
InChIKey JNUGUHRFOMWZAX-UHFFFAOYSA-N
Molecular Weight 329.432 g/mol
SMILES c1ccc2c(c1)nc(s2)COC(=O)CSCc1ccccc1
SPLASH splash10-0007-9610000000-246b8a6661c1856dde84
Wiley ID 1447312