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5-tert-Butyl-1,3-diiminoisoindoline

View entire compound with spectra: 2 NMR, and 1 FTIR

5-tert-Butyl-1,3-diiminoisoindoline
SpectraBase Compound ID 4q6DH9nIUir
InChI InChI=1S/C12H15N3/c1-12(2,3)7-4-5-8-9(6-7)11(14)15-10(8)13/h4-6H,1-3H3,(H3,13,14,15)
InChIKey QFTATDRGOXHSPJ-UHFFFAOYSA-N
Mol Weight 201.27 g/mol
Molecular Formula C12H15N3
Exact Mass 201.126597 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A0i3uRsaAOT
Name 5-tert-Butyl-1,3-diiminoisoindoline
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 432938
CAS Registry Number 52319-97-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15N3
InChI InChI=1S/C12H15N3/c1-12(2,3)7-4-5-8-9(6-7)11(14)15-10(8)13/h4-6H,1-3H3,(H3,13,14,15)
InChIKey QFTATDRGOXHSPJ-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_009537