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Bitertanol
SpectraBase Compound ID 7IlACdlNTMk
InChI InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3
InChIKey VGPIBGGRCVEHQZ-UHFFFAOYSA-N
Mol Weight 337.42 g/mol
Molecular Formula C20H23N3O2
Exact Mass 337.179027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aso5sE66VcO
Name Bitertanol
CAS Registry Number 55179-31-2
Classification Fungicide
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Exact Mass 337.179026991 u
Formula C20H23N3O2
InChI InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3
InChIKey VGPIBGGRCVEHQZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 337.423 g/mol
SMILES C([n]1ncnc1)(C(C(C)(C)C)O)Oc1ccc(-c2ccccc2)cc1
SPLASH splash10-00di-3900000000-cdf7a64f114d353f69fc
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_4146