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L-tryptophaN-methyl ester-carbamoyl cyanide
SpectraBase Compound ID 6cJqj5lQmSj
InChI InChI=1S/C14H13N3O3/c1-20-14(19)12(17-13(18)7-15)6-9-8-16-11-5-3-2-4-10(9)11/h2-5,8,12,16H,6H2,1H3,(H,17,18)/t12-/m0/s1
InChIKey JOJFFQMGQPXCNI-LBPRGKRZSA-N
Mol Weight 271.28 g/mol
Molecular Formula C14H13N3O3
Exact Mass 271.095691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EJ36WSMBK6D
Name L-tryptophaN-methyl ester-carbamoyl cyanide
Alternate Name(s) Methyl 2-[(cyanocarbonyl)amino]-3-(1H-indol-3'-yl)propanoate (2S)-2-(carbonocyanidoylamino)-3-(1H-indol-3-yl)propanoic acid methyl ester Methyl (2S)-2-(carbonocyanidoylamino)-3-(1H-indol-3-yl)propanoate
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Formula C14H13N3O3
InChI InChI=1S/C14H13N3O3/c1-20-14(19)12(17-13(18)7-15)6-9-8-16-11-5-3-2-4-10(9)11/h2-5,8,12,16H,6H2,1H3,(H,17,18)/t12-/m0/s1
InChIKey JOJFFQMGQPXCNI-LBPRGKRZSA-N
Molecular Weight 271.276 g/mol
SMILES [nH]1c2c(c(C[C@@](C(=O)OC)(NC(C#N)=O)[H])c1)cccc2
SPLASH splash10-001i-0910000000-f80db83d642434b15056
Source of Spectrum F5-7-3996-8p
Wiley ID 1696752