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Phenylalanine, N-acetyl-.beta.-(acetyloxy)-, methyl ester
SpectraBase Compound ID J5Wttv9Pblq
InChI InChI=1S/C14H17NO5/c1-9(16)15-12(14(18)19-3)13(20-10(2)17)11-7-5-4-6-8-11/h4-8,12-13H,1-3H3,(H,15,16)/t12-,13?/m0/s1
InChIKey HOTIALBMPUOIAJ-UEWDXFNNSA-N
Mol Weight 279.29 g/mol
Molecular Formula C14H17NO5
Exact Mass 279.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ff514kQyeJ
Name Phenylalanine, N-acetyl-.beta.-(acetyloxy)-, methyl ester
Alternate Name(s) Methyl (2S)-2-(acetylamino)-3-(acetyloxy)-3-phenylpropanoate
CAS Registry Number 77809-03-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO5
InChI InChI=1S/C14H17NO5/c1-9(16)15-12(14(18)19-3)13(20-10(2)17)11-7-5-4-6-8-11/h4-8,12-13H,1-3H3,(H,15,16)/t12-,13?/m0/s1
InChIKey HOTIALBMPUOIAJ-UEWDXFNNSA-N
Molecular Weight 279.292 g/mol
SMILES N([C@@](C(OC(=O)C)c1ccccc1)(C(=O)OC)[H])C(=O)C
SPLASH splash10-06s9-5900000000-aaf8807a98f79367d4aa
Source of Spectrum W5-0-0-0
Wiley ID 1282862