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Phenylalanine methyl ester
SpectraBase Compound ID K3G94f5kNdK
InChI InChI=1S/C10H13NO2/c1-13-10(12)7-9(11)8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3
InChIKey XKIOBYHZFPTKCZ-UHFFFAOYSA-N
Mol Weight 179.22 g/mol
Molecular Formula C10H13NO2
Exact Mass 179.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5YXn8Dqqbey
Name Phenylalanine methyl ester
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 179.094628661 u
Formula C10H13NO2
InChI InChI=1S/C10H13NO2/c1-13-10(12)7-9(11)8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3
InChIKey XKIOBYHZFPTKCZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 179.219 g/mol
Nominal Mass 179 u
Quality 970
Retention Index 1362
SMILES NC(C1=CC=CC=C1)CC(OC)=O
SPLASH splash10-0079-9300000000-4e17a867d2888eacb9cc
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms methyl 3-amino-3-phenylpropanoate
Technique GC/MS
Wiley ID DD2024_017947