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Phenylalanine, N-(3,5-dinitrobenzoyl)-

View entire compound with spectra: 1 NMR, and 2 MS (GC)

Phenylalanine, N-(3,5-dinitrobenzoyl)-
SpectraBase Compound ID EosokECVnzh
InChI InChI=1S/C16H13N3O7/c20-15(11-7-12(18(23)24)9-13(8-11)19(25)26)17-14(16(21)22)6-10-4-2-1-3-5-10/h1-5,7-9,14H,6H2,(H,17,20)(H,21,22)
InChIKey HMPNOOCHYKCCQH-UHFFFAOYSA-N
Mol Weight 359.29 g/mol
Molecular Formula C16H13N3O7
Exact Mass 359.07535 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C0DecGrz8k5
Name Phenylalanine, N-(3,5-dinitrobenzoyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.075349764 u
Formula C16H13N3O7
InChI InChI=1S/C16H13N3O7/c20-15(11-7-12(18(23)24)9-13(8-11)19(25)26)17-14(16(21)22)6-10-4-2-1-3-5-10/h1-5,7-9,14H,6H2,(H,17,20)(H,21,22)
InChIKey HMPNOOCHYKCCQH-UHFFFAOYSA-N
Molecular Weight 359.294 g/mol
SMILES C1(N(=O)=O)=CC(C(NC(CC2=CC=CC=C2)C(=O)O)=O)=CC(=C1)N(=O)=O