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(3aR,6aS)-5-(4-methylphenyl)-3-(3-pyridinyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
SpectraBase Compound ID 7QvE62OKyjv
InChI InChI=1S/C17H13N3O3/c1-10-4-6-12(7-5-10)20-16(21)13-14(11-3-2-8-18-9-11)19-23-15(13)17(20)22/h2-9,13,15H,1H3
InChIKey CNSQTPWCHATLQE-UHFFFAOYSA-N
Mol Weight 307.31 g/mol
Molecular Formula C17H13N3O3
Exact Mass 307.095691 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LnTnDzz0jRP
Name (3aR,6aS)-5-(4-methylphenyl)-3-(3-pyridinyl)-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/C17H13N3O3/c1-10-4-6-12(7-5-10)20-16(21)13-14(11-3-2-8-18-9-11)19-23-15(13)17(20)22/h2-9,13,15H,1H3
InChIKey CNSQTPWCHATLQE-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14228
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: D97378; Labnumber: SC_0037-0241; SBI_ID: SBI-014231
Temperature 318 °C