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Acebutolol -H2O HY2AC         @
SpectraBase Compound ID EGuQUpmFz79
InChI InChI=1S/C18H24N2O4/c1-12(2)20(15(5)23)9-6-10-24-18-8-7-16(19-14(4)22)11-17(18)13(3)21/h6-9,11-12H,10H2,1-5H3,(H,19,22)/b9-6+
InChIKey JYLSWVYWTNYIGP-RMKNXTFCSA-N
Mol Weight 332.4 g/mol
Molecular Formula C18H24N2O4
Exact Mass 332.173607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2l0IcdVCAi
Name Acebutolol -H2O HY2AC @
Classification Beta-Blocker
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Exact Mass 332.173607257 u
Formula C18H24N2O4
InChI InChI=1S/C18H24N2O4/c1-12(2)20(15(5)23)9-6-10-24-18-8-7-16(19-14(4)22)11-17(18)13(3)21/h6-9,11-12H,10H2,1-5H3,(H,19,22)/b9-6+
InChIKey JYLSWVYWTNYIGP-RMKNXTFCSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 332.400 g/mol
SMILES c1cc(cc(C(C)=O)c1OC\C=C\N(C(=O)C)C(C)C)NC(=O)C
SPLASH splash10-0f8i-4790000000-fceb36beed37847c3635
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+UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Acebutolol-M (diacetolol) -H2O AC Diacetolol -H2O AC
Technique GC/MS
Wiley ID MMPW6e_1570