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4-[(3aR,6aS)-3-(2,4-dichlorophenyl)-4,6-dioxo-3a,4,6,6a-tetrahydro-5H-pyrrolo[3,4-d]isoxazol-5-yl]phenyl acetate
SpectraBase Compound ID 8IVjAt0fFjC
InChI InChI=1S/C19H12Cl2N2O5/c1-9(24)27-12-5-3-11(4-6-12)23-18(25)15-16(22-28-17(15)19(23)26)13-7-2-10(20)8-14(13)21/h2-8,15,17H,1H3
InChIKey YRMRTGOTPNGRDF-UHFFFAOYSA-N
Mol Weight 419.22 g/mol
Molecular Formula C19H12Cl2N2O5
Exact Mass 418.012327 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4B0gbpmSolh
Name 4-[(3aR,6aS)-3-(2,4-dichlorophenyl)-4,6-dioxo-3a,4,6,6a-tetrahydro-5H-pyrrolo[3,4-d]isoxazol-5-yl]phenyl acetate
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/C19H12Cl2N2O5/c1-9(24)27-12-5-3-11(4-6-12)23-18(25)15-16(22-28-17(15)19(23)26)13-7-2-10(20)8-14(13)21/h2-8,15,17H,1H3
InChIKey YRMRTGOTPNGRDF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5753
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: D23391; Labnumber: NNA-1212; SBI_ID: SBI-005756
Temperature 318 °C