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Tertatolol AC
SpectraBase Compound ID G1En7VEVqSG
InChI InChI=1S/C18H27NO3S/c1-13(20)22-15(11-19-18(2,3)4)12-21-16-9-5-7-14-8-6-10-23-17(14)16/h5,7,9,15,19H,6,8,10-12H2,1-4H3
InChIKey HQZIQCORJRZWBR-UHFFFAOYSA-N
Mol Weight 337.48 g/mol
Molecular Formula C18H27NO3S
Exact Mass 337.171165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 59YLNg4EC
Name Tertatolol AC
Classification Beta-Blocker
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Exact Mass 337.171164904 u
Formula C18H27NO3S
InChI InChI=1S/C18H27NO3S/c1-13(20)22-15(11-19-18(2,3)4)12-21-16-9-5-7-14-8-6-10-23-17(14)16/h5,7,9,15,19H,6,8,10-12H2,1-4H3
InChIKey HQZIQCORJRZWBR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 337.478 g/mol
SMILES c12SCCCc2cccc1OCC(OC(=O)C)CNC(C)(C)C
SPLASH splash10-059i-9502000000-4e394c5a1084c6a8046e
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_4361