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(3aR,6aS)-3-(2-chlorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
SpectraBase Compound ID GgH1AQmNiS
InChI InChI=1S/C19H13ClN2O5/c20-12-4-2-1-3-11(12)16-15-17(27-21-16)19(24)22(18(15)23)10-5-6-13-14(9-10)26-8-7-25-13/h1-6,9,15,17H,7-8H2
InChIKey RRTAEMJYPVNKDX-UHFFFAOYSA-N
Mol Weight 384.78 g/mol
Molecular Formula C19H13ClN2O5
Exact Mass 384.051299 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JfyrnPXfh8r
Name (3aR,6aS)-3-(2-chlorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C19H13ClN2O5/c20-12-4-2-1-3-11(12)16-15-17(27-21-16)19(24)22(18(15)23)10-5-6-13-14(9-10)26-8-7-25-13/h1-6,9,15,17H,7-8H2
InChIKey RRTAEMJYPVNKDX-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27303
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D76066; Labnumber: SC_0037-0147; SBI_ID: SBI-027307
Temperature 315 °C