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2-(4-chlorophenyl)-2-oxoethyl 2-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)acetate

View entire compound with spectra: 2 NMR

2-(4-chlorophenyl)-2-oxoethyl 2-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)acetate
SpectraBase Compound ID ACv9Gu6onFi
InChI InChI=1S/C19H16ClNO5/c20-13-5-3-10(4-6-13)14(22)9-26-15(23)8-21-18(24)16-11-1-2-12(7-11)17(16)19(21)25/h1-6,11-12,16-17H,7-9H2
InChIKey NBHKZBUEPMJOOR-UHFFFAOYSA-N
Mol Weight 373.79 g/mol
Molecular Formula C19H16ClNO5
Exact Mass 373.0717 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L39w7gceiCS
Name 2-(4-Chlorophenyl)-2-oxoethyl 2-(1,3-dioxo-3A,4,7,7A-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.071700314 u
Formula C19H16ClNO5
InChI InChI=1S/C19H16ClNO5/c20-13-5-3-10(4-6-13)14(22)9-26-15(23)8-21-18(24)16-11-1-2-12(7-11)17(16)19(21)25/h1-6,11-12,16-17H,7-9H2
InChIKey NBHKZBUEPMJOOR-UHFFFAOYSA-N
Molecular Weight 373.792 g/mol
SMILES C1=C(Cl)C=CC(C(COC(CN2C(C3C4C=CC(C3C2=O)C4)=O)=O)=O)=C1