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DL-Tyrosine, N-acetyl-3-methoxy-, ethyl ester, benzoate (ester)
SpectraBase Compound ID JdaOrZ6Wwcd
InChI InChI=1S/C21H23NO6/c1-4-27-21(25)17(22-14(2)23)12-15-10-11-18(19(13-15)26-3)28-20(24)16-8-6-5-7-9-16/h5-11,13,17H,4,12H2,1-3H3,(H,22,23)
InChIKey CXXSKDKKECFJMQ-UHFFFAOYSA-N
Mol Weight 385.42 g/mol
Molecular Formula C21H23NO6
Exact Mass 385.152537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GwgFOlTfdoZ
Name DL-Tyrosine, N-acetyl-3-methoxy-, ethyl ester, benzoate (ester)
Alternate Name(s) 4-[2-(acetylamino)-3-ethoxy-3-oxopropyl]-2-methoxyphenyl benzoate N-acetyl-.beta.-(4-benzoyloxy-3-methoxyphenyl)alanine ethyl ester
CAS Registry Number 115851-91-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO6
InChI InChI=1S/C21H23NO6/c1-4-27-21(25)17(22-14(2)23)12-15-10-11-18(19(13-15)26-3)28-20(24)16-8-6-5-7-9-16/h5-11,13,17H,4,12H2,1-3H3,(H,22,23)
InChIKey CXXSKDKKECFJMQ-UHFFFAOYSA-N
Molecular Weight 385.416 g/mol
SMILES N(C(Cc1ccc(OC(=O)c2ccccc2)c(c1)OC)C(=O)OCC)C(=O)C
SPLASH splash10-0a4i-0901000000-4dea5f8e59a583688bc4
Source of Spectrum KC-1988-1707-1
Wiley ID 1362222