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Isopyrin
SpectraBase Compound ID HBtD5MENWtV
InChI InChI=1S/C14H19N3O/c1-10(2)15-13-11(3)16(4)17(14(13)18)12-8-6-5-7-9-12/h5-10,15H,1-4H3
InChIKey XOZLRRYPUKAKMU-UHFFFAOYSA-N
Mol Weight 245.33 g/mol
Molecular Formula C14H19N3O
Exact Mass 245.152812 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TgJRTKorBR
Name Isopyrin @
CAS Registry Number 3615-24-5
Classification Analgesic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 245.152812243 u
Formula C14H19N3O
InChI InChI=1S/C14H19N3O/c1-10(2)15-13-11(3)16(4)17(14(13)18)12-8-6-5-7-9-12/h5-10,15H,1-4H3
InChIKey XOZLRRYPUKAKMU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 245.326 g/mol
SMILES c1(N2C(C(=C(C)N2C)NC(C)C)=O)ccccc1
SPLASH splash10-0a4i-9320000000-ce46f3c48eb63fcb0315
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.
Sample Preparation Procedure Detected: G
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Ramifenazone
Technique GC/MS
Wiley ID MMPW6e_530