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Propicillin artifact-1
SpectraBase Compound ID 8N9QZpmeVAt
InChI InChI=1S/C10H13NO2/c1-2-9(10(11)12)13-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H2,11,12)
InChIKey VYCUUOHOBUPEPJ-UHFFFAOYSA-N
Mol Weight 179.22 g/mol
Molecular Formula C10H13NO2
Exact Mass 179.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A8ENzGWZps7
Name Propicillin artifact-1
Classification Antibiotic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 179.094628661 u
Formula C10H13NO2
InChI InChI=1S/C10H13NO2/c1-2-9(10(11)12)13-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H2,11,12)
InChIKey VYCUUOHOBUPEPJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 179.219 g/mol
Related CAS Registry Number(s) 551-27-9
SMILES C(=O)(N)C(Oc1ccccc1)CC
SPLASH splash10-0kw3-9400000000-aa689997a5d07de9de64
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_8467