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Pentylenetetrazole

View entire compound with spectra: 7 NMR, 9 FTIR, 2 Raman, 2 UV-Vis, 12 MS (GC), and 10 MS (LC)

Pentylenetetrazole
SpectraBase Compound ID JXPJycEqmzC
InChI InChI=1S/C6H10N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1-5H2
InChIKey CWRVKFFCRWGWCS-UHFFFAOYSA-N
Mol Weight 138.17 g/mol
Molecular Formula C6H10N4
Exact Mass 138.090546 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bgd7B9ePANW
Name 6,7,8,9-TETRAHYDRO-5H-TETRAZOLOAZEPINE
Compound Number 4C
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H10N4
InChI InChI=1S/C6H10N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1-5H2
InChIKey CWRVKFFCRWGWCS-UHFFFAOYSA-N
Literature Reference Author S.LEHNHOFF,I.UGI
Literature Reference Citation HETEROCYCLES,40,801(1995)
Literature Reference DOI 10.3987/COM-94-S69
Molecular Weight 138.172 g/mol
Solvent CDCl3
Source File Reference UWCP2668