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N-Acetyl-3-nitrophenylalanine
SpectraBase Compound ID AZ72tkn3yma
InChI InChI=1S/C11H12N2O5/c1-7(14)12-10(11(15)16)6-8-3-2-4-9(5-8)13(17)18/h2-5,10H,6H2,1H3,(H,12,14)(H,15,16)
InChIKey KIOSEOFZTDAFBP-UHFFFAOYSA-N
Mol Weight 252.23 g/mol
Molecular Formula C11H12N2O5
Exact Mass 252.074621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 69fE2qzGXW
Name N-Acetyl-3-nitrophenylalanine
Alternate Name(s) 2-Acetamido-3-(3-nitrophenyl)propanoic acid 2-Acetamido-3-(3-nitrophenyl)propionic acid Propanoic acid, 2-acetylamino-3-(3-nitrophenyl)-
CAS Registry Number 170157-49-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12N2O5
InChI InChI=1S/C11H12N2O5/c1-7(14)12-10(11(15)16)6-8-3-2-4-9(5-8)13(17)18/h2-5,10H,6H2,1H3,(H,12,14)(H,15,16)
InChIKey KIOSEOFZTDAFBP-UHFFFAOYSA-N
Molecular Weight 252.226 g/mol
SMILES OC(C(Cc1cc(N(=O)=O)ccc1)NC(=O)C)=O
SPLASH splash10-0006-9200000000-be575d744c69f603f287
Source of Spectrum AD-0-2532-0
Wiley ID 1434014