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Methyl 2-(bromomethyl)-2-methyl-3-oxo-3-[(10'-oxo-12',15',18'-trioxa-9'-azanonadecyl)thio]propanoate
SpectraBase Compound ID AUCZN8tK4i3
InChI InChI=1S/C21H38BrNO7S/c1-21(17-22,19(25)28-3)20(26)31-15-9-7-5-4-6-8-10-23-18(24)16-30-14-13-29-12-11-27-2/h4-17H2,1-3H3,(H,23,24)
InChIKey GJPKPDLNZAMTAK-UHFFFAOYSA-N
Mol Weight 528.5 g/mol
Molecular Formula C21H38BrNO7S
Exact Mass 527.155237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8K4kwkd8AJh
Name Methyl 2-(bromomethyl)-2-methyl-3-oxo-3-[(10'-oxo-12',15',18'-trioxa-9'-azanonadecyl)thio]propanoate
Alternate Name(s) Methyl 22-(bromomethyl)-22-methyl-10,21-dioxo-2,5,8-trioxa-20-thia-11-azatricosan-23-oate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H38BrNO7S
InChI InChI=1S/C21H38BrNO7S/c1-21(17-22,19(25)28-3)20(26)31-15-9-7-5-4-6-8-10-23-18(24)16-30-14-13-29-12-11-27-2/h4-17H2,1-3H3,(H,23,24)
InChIKey GJPKPDLNZAMTAK-UHFFFAOYSA-N
Molecular Weight 528.499 g/mol
SMILES N(C(=O)COCCOCCOC)CCCCCCCCSC(C(C(=O)OC)(CBr)C)=O
SPLASH splash10-00di-0289000000-01ea69a2f71842299b83
Source of Spectrum H-84-688-20
Wiley ID 847482