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Dopexamine 4AC
SpectraBase Compound ID 846c3N96Wey
InChI InChI=1S/C30H40N2O6/c1-23(33)31(20-16-27-12-8-7-9-13-27)18-10-5-6-11-19-32(24(2)34)21-17-28-14-15-29(37-25(3)35)30(22-28)38-26(4)36/h7-9,12-15,22H,5-6,10-11,16-21H2,1-4H3
InChIKey JIDCXMGFGXLCKC-UHFFFAOYSA-N
Mol Weight 524.7 g/mol
Molecular Formula C30H40N2O6
Exact Mass 524.288637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJdrgUasZyS
Name Dopexamine 4AC
Classification Pharmaceutical drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 524.288637010 u
Formula C30H40N2O6
InChI InChI=1S/C30H40N2O6/c1-23(33)31(20-16-27-12-8-7-9-13-27)18-10-5-6-11-19-32(24(2)34)21-17-28-14-15-29(37-25(3)35)30(22-28)38-26(4)36/h7-9,12-15,22H,5-6,10-11,16-21H2,1-4H3
InChIKey JIDCXMGFGXLCKC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 524.658 g/mol
Nominal Mass 524 u
Quality 927
SMILES C1(=C(C=C(C=C1)CCN(C(=O)C)CCCCCCN(CCC1=CC=CC=C1)C(=O)C)OC(=O)C)OC(=O)C
SPLASH splash10-056r-2964000000-63e2ab54423c9ce99298
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-(2-(acetyl(6-(acetyl(2-phenylethyl)amino)hexyl)amino)ethyl)-2-(acetyloxy)phenyl acetate
Technique DI/MS
Wiley ID DD2024_007895