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Propicillin artifact-2
SpectraBase Compound ID 3PO3x03U2z4
InChI InChI=1S/C13H17NO4/c1-3-11(13(16)14-9-12(15)17-2)18-10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3,(H,14,16)
InChIKey PQOMRBGNKHFPMZ-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C13H17NO4
Exact Mass 251.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID cpAkTwy5hI
Name Propicillin artifact-2
Classification Antibiotic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 251.115758027 u
Formula C13H17NO4
InChI InChI=1S/C13H17NO4/c1-3-11(13(16)14-9-12(15)17-2)18-10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3,(H,14,16)
InChIKey PQOMRBGNKHFPMZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 251.282 g/mol
Related CAS Registry Number(s) 551-27-9
SMILES C(=O)(NCC(OC)=O)C(Oc1ccccc1)CC
SPLASH splash10-0ar9-9300000000-3ce0a1576c773811f252
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_8466