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Terbutaline
SpectraBase Compound ID 2AKNBKAwuVg
InChI InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
InChIKey XWTYSIMOBUGWOL-UHFFFAOYSA-N
Mol Weight 225.29 g/mol
Molecular Formula C12H19NO3
Exact Mass 225.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8D0xGaUYwAL
Name Terbutaline
CAS Registry Number 23031-25-6
Classification Bronchodilator
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 225.136493473 u
Formula C12H19NO3
InChI InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
InChIKey XWTYSIMOBUGWOL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 225.288 g/mol
SMILES c1(cc(cc(c1)O)C(O)CNC(C)(C)C)O
SPLASH splash10-000i-9200000000-02d27b708c40bb29064e
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_2731