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Dopamine 3AC
SpectraBase Compound ID LXu7XBQVAIS
InChI InChI=1S/C14H17NO5/c1-9(16)15-7-6-12-4-5-13(19-10(2)17)14(8-12)20-11(3)18/h4-5,8H,6-7H2,1-3H3,(H,15,16)
InChIKey HABRVLDLGFSKNH-UHFFFAOYSA-N
Mol Weight 279.29 g/mol
Molecular Formula C14H17NO5
Exact Mass 279.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8GgxFcMzEFk
Name Dopamine 3AC
Classification Pharmaceutical drug derivative
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 279.110672646 u
Formula C14H17NO5
InChI InChI=1S/C14H17NO5/c1-9(16)15-7-6-12-4-5-13(19-10(2)17)14(8-12)20-11(3)18/h4-5,8H,6-7H2,1-3H3,(H,15,16)
InChIKey HABRVLDLGFSKNH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 279.292 g/mol
Nominal Mass 279 u
Quality 874
Retention Index 2230
SMILES C1(=C(C=CC(=C1)CCNC(=O)C)OC(=O)C)OC(=O)C
SPLASH splash10-000i-4910000000-1b43b01ad480588bc145
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-(2-(acetylamino)ethyl)-2-(acetyloxy)phenyl acetate
Technique GC/MS
Wiley ID DD2024_006603