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Carprofen-M (HO-) isomer-1 3ME
SpectraBase Compound ID JNTBt59wWpB
InChI InChI=1S/C18H18ClNO3/c1-10(18(21)23-4)11-5-6-12-13-8-14(19)17(22-3)9-16(13)20(2)15(12)7-11/h5-10H,1-4H3
InChIKey IJKGJLCYNCKBPG-UHFFFAOYSA-N
Mol Weight 331.8 g/mol
Molecular Formula C18H18ClNO3
Exact Mass 331.097521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KIZJVPKNrIM
Name Carprofen-M (HO-) isomer-1 3ME
Classification Analgesic
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 331.097521141 u
Formula C18H18ClNO3
InChI InChI=1S/C18H18ClNO3/c1-10(18(21)23-4)11-5-6-12-13-8-14(19)17(22-3)9-16(13)20(2)15(12)7-11/h5-10H,1-4H3
InChIKey IJKGJLCYNCKBPG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 331.799 g/mol
SMILES c12cc(Cl)c(cc2[n](C)c2c1ccc(c2)C(C)C(OC)=O)OC
SPLASH splash10-0089-0296000000-63f661f1bec0ab16a2b0
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: UME
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_6288