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Terbutaline 4AC
SpectraBase Compound ID 1CxZ0dc4izV
InChI InChI=1S/C20H27NO7/c1-12(22)21(20(5,6)7)11-19(28-15(4)25)16-8-17(26-13(2)23)10-18(9-16)27-14(3)24/h8-10,19H,11H2,1-7H3
InChIKey XOJFJANLXIPBGU-UHFFFAOYSA-N
Mol Weight 393.44 g/mol
Molecular Formula C20H27NO7
Exact Mass 393.178752 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8I0zW7KDkJs
Name Terbutaline 4AC
Classification Pharmaceutical drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 393.178752206 u
Formula C20H27NO7
InChI InChI=1S/C20H27NO7/c1-12(22)21(20(5,6)7)11-19(28-15(4)25)16-8-17(26-13(2)23)10-18(9-16)27-14(3)24/h8-10,19H,11H2,1-7H3
InChIKey XOJFJANLXIPBGU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 393.436 g/mol
Nominal Mass 393 u
Quality 955
Retention Index 2871
SMILES C=1(C(CN(C(C)(C)C)C(=O)C)OC(=O)C)C=C(C=C(C1)OC(=O)C)OC(=O)C
SPLASH splash10-00fu-9510000000-30b95efc32fd2eb7693b
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-(2-(acetyl(tert-butyl)amino)-1-(acetyloxy)ethyl)-5-(acetyloxy)phenyl acetate
Technique GC/MS
Wiley ID DD2024_003987