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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52rnHfw6Ea
Name Pentetrazole
CAS Registry Number 54-95-5
Classification Stimulant
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 138.090546338 u
Formula C6H10N4
InChI InChI=1S/C6H10N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1-5H2
InChIKey CWRVKFFCRWGWCS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 138.174 g/mol
SMILES C1CCc2[n](nnn2)CC1
SPLASH splash10-0a4i-9100000000-0073edf50b340573d570
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_835