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1,3-Dioxo-N-(1-((2-diazomethylcarbonylethyl)-carbamoyl)-2-phenylethyl)-isoindole

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1,3-Dioxo-N-(1-((2-diazomethylcarbonylethyl)-carbamoyl)-2-phenylethyl)-isoindole
SpectraBase Compound ID KVbHoLDpxMm
InChI InChI=1S/C21H18N4O4/c22-24-13-15(26)10-11-23-19(27)18(12-14-6-2-1-3-7-14)25-20(28)16-8-4-5-9-17(16)21(25)29/h1-9,13,18H,10-12H2,(H,23,27)
InChIKey JDVXBKBPDQSKBR-UHFFFAOYSA-N
Mol Weight 390.4 g/mol
Molecular Formula C21H18N4O4
Exact Mass 390.132805 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2IL33VzTHp0
Name 1,3-Dioxo-N-(1-((2-diazomethylcarbonylethyl)-carbamoyl)-2-phenylethyl)-isoindole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.132805072 u
Formula C21H18N4O4
InChI InChI=1S/C21H18N4O4/c22-24-13-15(26)10-11-23-19(27)18(12-14-6-2-1-3-7-14)25-20(28)16-8-4-5-9-17(16)21(25)29/h1-9,13,18H,10-12H2,(H,23,27)
InChIKey JDVXBKBPDQSKBR-UHFFFAOYSA-N
Molecular Weight 390.399 g/mol
SMILES C1(N(C(C=2C=CC=CC12)=O)C(C(=O)NCCC(C=[N+]=[N-])=O)CC=1C=CC=CC1)=O