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Phenoxyacetic acid methylester
SpectraBase Compound ID 5RWonXDpasb
InChI InChI=1S/C9H10O3/c1-11-9(10)7-12-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey BZCKRPHEZOHHBK-UHFFFAOYSA-N
Mol Weight 166.18 g/mol
Molecular Formula C9H10O3
Exact Mass 166.062994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 58vhjjpnE0
Name Phenoxymethylpenicilline-M/A ME @
Classification Fungicide Antibiotic
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Exact Mass 166.062994179 u
Formula C9H10O3
InChI InChI=1S/C9H10O3/c1-11-9(10)7-12-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey BZCKRPHEZOHHBK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 166.176 g/mol
Related CAS Registry Number(s) 122-59-8
SMILES c1c(OCC(=O)OC)cccc1
SPLASH splash10-0a4i-8900000000-44de8cdffbd08823855d
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: U
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Phenoxyacetic acid methylester Phenoxymethylpenicilline-M/artifact ME
Technique GC/MS
Wiley ID MMPW6e_858