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3-(isothiocyanatomethyl)-1-indolecarboxylic acid tert-butyl ester
SpectraBase Compound ID CetKoN7bzVJ
InChI InChI=1S/C15H16N2O2S/c1-15(2,3)19-14(18)17-9-11(8-16-10-20)12-6-4-5-7-13(12)17/h4-7,9H,8H2,1-3H3
InChIKey AHFZCCSDCACSNA-UHFFFAOYSA-N
Mol Weight 288.37 g/mol
Molecular Formula C15H16N2O2S
Exact Mass 288.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KDy9GJth7HI
Name 3-(isothiocyanatomethyl)-1-indolecarboxylic acid tert-butyl ester
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Formula C15H16N2O2S
InChI InChI=1S/C15H16N2O2S/c1-15(2,3)19-14(18)17-9-11(8-16-10-20)12-6-4-5-7-13(12)17/h4-7,9H,8H2,1-3H3
InChIKey AHFZCCSDCACSNA-UHFFFAOYSA-N
Molecular Weight 288.365 g/mol
SMILES C([n]1cc(CN=C=S)c2c1cccc2)(OC(C)(C)C)=O
SPLASH splash10-053r-4980000000-24b1ec87b8938e449531
Source of Spectrum D1-1997-290-5
Synonyms 3-(isothiocyanatomethyl)indole-1-carboxylic acid tert-butyl ester tert-Butyl 3-(isothiocyanatomethyl)indole-1-carboxylate
Wiley ID 834917