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Procarterol -H2O AC
SpectraBase Compound ID 5wL9Vl6XQFk
InChI InChI=1S/C18H22N2O3/c1-5-14(20(11(2)3)12(4)21)10-13-6-8-16(22)18-15(13)7-9-17(23)19-18/h6-11,22H,5H2,1-4H3,(H,19,23)/b14-10+
InChIKey UQQOTUYAHDHMIO-GXDHUFHOSA-N
Mol Weight 314.39 g/mol
Molecular Formula C18H22N2O3
Exact Mass 314.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2IhdMmuJ84
Name Procarterol -H2O AC
Classification Bronchodilator
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Exact Mass 314.163042573 u
Formula C18H22N2O3
InChI InChI=1S/C18H22N2O3/c1-5-14(20(11(2)3)12(4)21)10-13-6-8-16(22)18-15(13)7-9-17(23)19-18/h6-11,22H,5H2,1-4H3,(H,19,23)/b14-10+
InChIKey UQQOTUYAHDHMIO-GXDHUFHOSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 314.385 g/mol
Related CAS Registry Number(s) 60443-17-6
SMILES c1c(c2C=CC(Nc2c(O)c1)=O)\C=C/(CC)N(C(C)C)C(=O)C
SPLASH splash10-0zfr-9861000000-bd2488a3bdbde0f6c556
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_1861