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Methampyrone

View entire compound with spectra: 1 NMR, and 6 MS (GC)

Methampyrone
SpectraBase Compound ID GwxpfCM5p0D
InChI InChI=1S/C13H17N3O4S.Na/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;/h4-8H,9H2,1-3H3,(H,18,19,20);/q;+1/p-1
InChIKey DJGAAPFSPWAYTJ-UHFFFAOYSA-M
Mol Weight 333.34 g/mol
Molecular Formula C13H16N3NaO4S
Exact Mass 333.075921 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GwQcwP93SnH
Name Methampyrone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N3NaO4S
InChI InChI=1S/C13H17N3O4S.Na/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;/h4-8H,9H2,1-3H3,(H,18,19,20);/q;+1/p-1
InChIKey DJGAAPFSPWAYTJ-UHFFFAOYSA-M
Ionization Type EI-B
Molecular Weight 333.338 g/mol
SMILES C(S(O[Na])(=O)=O)N(C)C1=C(C)N(N(C1=O)c1ccccc1)C
SPLASH splash10-0a4i-9210000000-0afef355301fc17c2ab5
Source of Spectrum SRH-2022-2775-0
Wiley ID 1825124