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1-(cyanomethyl)-3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride
SpectraBase Compound ID Do4CQaQvVOb
InChI InChI=1S/C15H16N3.ClH/c1-12-4-6-13(7-5-12)14-11-17(10-8-16)15-3-2-9-18(14)15;/h4-7,11H,2-3,9-10H2,1H3;1H/q+1;/p-1
InChIKey SSQMMPVIGXNGHX-UHFFFAOYSA-M
Mol Weight 273.77 g/mol
Molecular Formula C15H16ClN3
Exact Mass 273.103275 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8mUm2fFeOld
Name 1-(cyanomethyl)-3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride
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/C15H16N3.ClH/c1-12-4-6-13(7-5-12)14-11-17(10-8-16)15-3-2-9-18(14)15;/h4-7,11H,2-3,9-10H2,1H3;1H/q+1;/p-1
InChIKey SSQMMPVIGXNGHX-UHFFFAOYSA-M
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28481
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: D87894; Labnumber: SC_0087-1106; SBI_ID: SBI-028485
Temperature 318 °C