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Paracetamol-M Cl-artifact AC         @
SpectraBase Compound ID Ex9OKGAeyw7
InChI InChI=1S/C11H12ClNO4/c1-6(14)13-8-4-9(12)11(17-7(2)15)10(5-8)16-3/h4-5H,1-3H3,(H,13,14)
InChIKey ABZDBWYVWLLJNB-UHFFFAOYSA-N
Mol Weight 257.67 g/mol
Molecular Formula C11H12ClNO4
Exact Mass 257.045486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5tLqYhCdGle
Name Paracetamol-M Cl-artifact AC @
Classification Analgesic
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 257.045485566 u
Formula C11H12ClNO4
InChI InChI=1S/C11H12ClNO4/c1-6(14)13-8-4-9(12)11(17-7(2)15)10(5-8)16-3/h4-5H,1-3H3,(H,13,14)
InChIKey ABZDBWYVWLLJNB-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 257.673 g/mol
SMILES c1(c(c(Cl)cc(c1)NC(=O)C)OC(=O)C)OC
SPLASH splash10-00xr-0950000000-fe36bd6111a76e2064c0
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: UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Acetaminophen-M (methoxy-) Cl-artifact AC Paracetamol-M (methoxy-) Cl-artifact AC
Technique GC/MS
Wiley ID MMPW6e_2994