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Aspartame

View entire compound with spectra: 1 NMR, 4 FTIR, 1 Raman, and 3 MS (GC)

Aspartame
SpectraBase Compound ID 4ILh0SIOYUu
InChI InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1
InChIKey IAOZJIPTCAWIRG-QWRGUYRKSA-N
Mol Weight 294.31 g/mol
Molecular Formula C14H18N2O5
Exact Mass 294.121572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5W7sQXTh9cr
Name 3-Amino-4-[(1-benzyl-2-methoxy-2-oxoethyl)amino]-4-oxobutanoic acid
CAS Registry Number 22839-47-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18N2O5
InChI InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1
InChIKey IAOZJIPTCAWIRG-QWRGUYRKSA-N
Molecular Weight 294.307 g/mol
SMILES N(C([C@](CC(O)=O)(N)[H])=O)[C@@](Cc1ccccc1)(C(OC)=O)[H]
SPLASH splash10-007c-9300000000-099389766dc7f740d07f
Synonyms (3S)-3-amino-4-[[(1S)-1-benzyl-2-keto-2-methoxy-ethyl]amino]-4-keto-butyric acid (3S)-3-amino-4-[[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-4-oxo-butanoic acid (3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid (3S)-3-ammonio-4-[[(1S)-1-benzyl-2-keto-2-methoxy-ethyl]amino]-4-keto-butyrate (3S)-3-ammonio-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoate (3S)-3-azaniumyl-4-[[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-4-oxo-butanoate (3S)-3-azaniumyl-4-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoate (3S)-3-azaniumyl-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoate (3S)-3-azanyl-4-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid 3-Amino-N-(.alpha.-carboxyphenethyl)succinamic acid N-methyl ester 3-Amino-N-(.alpha.-methoxycarbonylphenethyl) succinamic acid APM ASP-PHE-OME Aspartam Aspartame Aspartamo Aspartamum Aspartylphenylalanine methyl ester Canderel Dipeptide sweetener EQUAL L-.alpha.-Aspartyl-L-phenylalanine methyl ester L-Aspartyl-L-phenylalanine methyl ester L-Phenylalanine, L-.alpha.-aspartyl-, 2-methyl ester L-Phenylalanine, N-L-.alpha.-aspartyl-, 1-methyl ester Methyl aspartylphenylalanate Methyl L-aspartyl-L-phenylalanine N-L-.alpha.-Aspartyl-L-phenylalanine methyl ester Nutrasweet Sanecta Succinamic acid, 3-amino-N-(.alpha.-carboxyphenethyl)-, N-methyl ester, stereoisomer Sweet dipeptide Tri-sweet CCRIS 5456 EINECS 245-261-3 HSDB 3915 SC 18862
Wiley ID 1508751