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Isoxaben
SpectraBase Compound ID D4skr03HYgq
InChI InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)
InChIKey PMHURSZHKKJGBM-UHFFFAOYSA-N
Mol Weight 332.4 g/mol
Molecular Formula C18H24N2O4
Exact Mass 332.173607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JG4rojK1GlG
Name Isoxaben
CAS Registry Number 82558-50-7
Classification Herbicide
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 332.173607257 u
Formula C18H24N2O4
InChI InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)
InChIKey PMHURSZHKKJGBM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 332.400 g/mol
SMILES c1ccc(OC)c(c1OC)C(=O)Nc1onc(c1)C(CC)(C)CC
SPLASH splash10-014i-1900000000-629a9b4bafaacfd6fd53
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_3885