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alpha-{2-[(1,3-benzodioxan-6-yl)carbamoyl]ethyl}-1,3-dioxo-2-isoindolineacetic acid

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alpha-{2-[(1,3-benzodioxan-6-yl)carbamoyl]ethyl}-1,3-dioxo-2-isoindolineacetic acid
SpectraBase Compound ID 1sBj8So9D2g
InChI InChI=1S/C21H18N2O7/c24-18(22-13-5-7-17-12(9-13)10-29-11-30-17)8-6-16(21(27)28)23-19(25)14-3-1-2-4-15(14)20(23)26/h1-5,7,9,16H,6,8,10-11H2,(H,22,24)(H,27,28)
InChIKey PTBUGUXRRPKHNB-UHFFFAOYSA-N
Mol Weight 410.38 g/mol
Molecular Formula C21H18N2O7
Exact Mass 410.111401 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5BVDFLfR4VO
Name alpha-{2-[(1,3-BENZODIOXAN-6-YL)CARBAMOYL]ETHYL}-1,3-DIOXO-2-ISOINDOLINEACETIC ACID
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N2O7
InChI InChI=1S/C21H18N2O7/c24-18(22-13-5-7-17-12(9-13)10-29-11-30-17)8-6-16(21(27)28)23-19(25)14-3-1-2-4-15(14)20(23)26/h1-5,7,9,16H,6,8,10-11H2,(H,22,24)(H,27,28)
InChIKey PTBUGUXRRPKHNB-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 200-202C
Molecular Weight 410.39
Solvent Polysol; Reference=TMS; Temperature 297K