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1-(((E)-[5-(4-Nitrophenyl)-2-furyl]methylidene)amino)-2,4-imidazolidinedione
SpectraBase Compound ID AdGXoZEdmpf
InChI InChI=1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20)/b15-7+
InChIKey OZOMQRBLCMDCEG-VIZOYTHASA-N
Mol Weight 314.26 g/mol
Molecular Formula C14H10N4O5
Exact Mass 314.065119 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5TkMj4f3VOP
Name Dantrolene
CAS Registry Number 7261-97-4
Classification Muscle relaxant
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 314.065119433 u
Formula C14H10N4O5
InChI InChI=1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20)/b15-7+
InChIKey OZOMQRBLCMDCEG-VIZOYTHASA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 314.257 g/mol
SMILES c1(-c2ccc(o2)\C=N\N2CC(NC2=O)=O)ccc(cc1)N(=O)=O
SPLASH splash10-03di-7940000000-98c7a84ace25fbd9bca6
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_2033