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N-Acetyl-1-Boc-4-bromo-DL-tryptophan Methyl Ester
SpectraBase Compound ID GnMga3LQyF7
InChI InChI=1S/C19H23BrN2O5/c1-11(23)21-14(17(24)26-5)9-12-10-22(18(25)27-19(2,3)4)15-8-6-7-13(20)16(12)15/h6-8,10,14H,9H2,1-5H3,(H,21,23)
InChIKey XILHPZIGUXDEGP-UHFFFAOYSA-N
Mol Weight 439.31 g/mol
Molecular Formula C19H23BrN2O5
Exact Mass 438.079035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KVGFdoY1xiC
Name N-Acetyl-1-Boc-4-bromo-DL-tryptophan Methyl Ester
Alternate Name(s) tert-butyl 3-[2-(acetylamino)-3-methoxy-3-oxopropyl]-4-bromo-1H-indole-1-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C19H23BrN2O5
InChI InChI=1S/C19H23BrN2O5/c1-11(23)21-14(17(24)26-5)9-12-10-22(18(25)27-19(2,3)4)15-8-6-7-13(20)16(12)15/h6-8,10,14H,9H2,1-5H3,(H,21,23)
InChIKey XILHPZIGUXDEGP-UHFFFAOYSA-N
Molecular Weight 439.306 g/mol
SMILES N(C(Cc1c[n](C(OC(C)(C)C)=O)c2c1c(Br)ccc2)C(=O)OC)C(=O)C
SPLASH splash10-03di-0090000000-f65fac1159cb58142b78
Source of Spectrum H1-55-656-14
Wiley ID 1564500