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N-(2-Methyl-4H-3,1-benzoxazin-4-ylidene)-L-tryptophan methyl ester
SpectraBase Compound ID Kk6YucRwmcj
InChI InChI=1S/C21H19N3O3/c1-13-23-18-10-6-4-8-16(18)20(27-13)24-19(21(25)26-2)11-14-12-22-17-9-5-3-7-15(14)17/h3-10,12,19,22H,11H2,1-2H3/b24-20-/t19-/m0/s1
InChIKey XNMUUPJTQJMTIV-HDNKBODISA-N
Mol Weight 361.4 g/mol
Molecular Formula C21H19N3O3
Exact Mass 361.142641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GWOQl8YjpWH
Name N-(2-Methyl-4H-3,1-benzoxazin-4-ylidene)-L-tryptophan methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19N3O3
InChI InChI=1S/C21H19N3O3/c1-13-23-18-10-6-4-8-16(18)20(27-13)24-19(21(25)26-2)11-14-12-22-17-9-5-3-7-15(14)17/h3-10,12,19,22H,11H2,1-2H3/b24-20-/t19-/m0/s1
InChIKey XNMUUPJTQJMTIV-HDNKBODISA-N
Molecular Weight 361.401 g/mol
SMILES [nH]1c2c(c(c1)C[C@](\N=C\1OC(C)=Nc3c1cccc3)(C(=O)OC)[H])cccc2
SPLASH splash10-001i-0956000000-03601a37909306971a3f
Source of Spectrum J-65-1029-17
Synonyms Methyl (2S)-3-(1H-indol-3-yl)-2-{[(4Z)-2-methyl-4H-3,1-benzoxazin-4-ylidene]amino}propanoate
Wiley ID 1532140