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(2R,3S)-5-3-tert-Butylamino-2-hydroxypropoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol
SpectraBase Compound ID 9hotqjNT4Yh
InChI InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3
InChIKey VWPOSFSPZNDTMJ-UHFFFAOYSA-N
Mol Weight 309.41 g/mol
Molecular Formula C17H27NO4
Exact Mass 309.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 55WUIdheKm
Name Nadolol
CAS Registry Number 42200-33-9
Classification Beta-Blocker
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 309.194008349 u
Formula C17H27NO4
InChI InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3
InChIKey VWPOSFSPZNDTMJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 309.406 g/mol
SMILES CC(NCC(COc1c2c(CC(C(C2)O)O)ccc1)O)(C)C
SPLASH splash10-000i-9200000000-818d4eab180c5ee934be
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_2612