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N-Acetyl-DL-tryptophan
SpectraBase Compound ID swNmg3X36M
InChI InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)
InChIKey DZTHIGRZJZPRDV-UHFFFAOYSA-N
Mol Weight 246.27 g/mol
Molecular Formula C13H14N2O3
Exact Mass 246.100442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vxN7IW2dsa
Name N-acetyl-tryptophan, 2TMS
Comments Non-derivatized structure shown; Derivatization type: 2 TMS (mass: 390.179); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000069; Note: The molecular formula of the structure shown is C13H14N2O3 - which differs from the formula reported for the mass spectrum (C19H30N2O3Si2)
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Formula C19H30N2O3Si2
InChI InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)
InChIKey DZTHIGRZJZPRDV-UHFFFAOYSA-N
Molecular Weight 246.266 g/mol
SMILES N(C(C(=O)O)Cc1c[nH]c2ccccc12)C(C)=O
SPLASH splash10-001i-0920000000-3057953cceebe0dd0f93
Source of Spectrum FM-2019-69-0
Synonyms N-Acetyltryptophan, 2TMS Acetyltryptophan, 2TMS Acetyl tryptophan, 2TMS Acetyl-L-tryptophan, 2TMS Acetyl-L-trp, 2TMS AC-Try, 2TMS 2-Acetamido-3-(1H-indol-3-yl)propanoic acid, 2TMS Acetyltryptophan
Wiley ID 1817765