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O-(Benzotriazol-1-yl)-N,N,N',N'-bis(pentamethylene)uronium hexafluorophosphate

View entire compound with spectra: 2 NMR, 4 FTIR, and 1 Raman

O-(Benzotriazol-1-yl)-N,N,N',N'-bis(pentamethylene)uronium hexafluorophosphate
SpectraBase Compound ID 3JUfqzDvZQO
InChI InChI=1S/C17H24N5O.F6P/c1-5-11-20(12-6-1)17(21-13-7-2-8-14-21)23-22-16-10-4-3-9-15(16)18-19-22;1-7(2,3,4,5)6/h3-4,9-10H,1-2,5-8,11-14H2;/q+1;-1
InChIKey YNOBMGHLCWIWCL-UHFFFAOYSA-N
Mol Weight 459.38 g/mol
Molecular Formula C17H24F6N5OP
Exact Mass 459.162266 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HVKG5whehnl
Name O-Benzotriazol-1-yl-N,N,N',N'-bis(pentamethylene)uronium hexafluorophosphate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 420271
CAS Registry Number 206752-41-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24F6N5OP
InChI InChI=1S/C17H24N5O.F6P/c1-5-11-20(12-6-1)17(21-13-7-2-8-14-21)23-22-16-10-4-3-9-15(16)18-19-22;1-7(2,3,4,5)6/h3-4,9-10H,1-2,5-8,11-14H2;/q+1;-1
InChIKey YNOBMGHLCWIWCL-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_009253