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Succinate
SpectraBase Compound ID 5ptWUYGBklu
InChI InChI=1S/C20H27N3O7/c24-16-7-1-3-12-22-17(25)9-5-6-15(14-30-20(29)11-10-19(27)28)23-18(26)8-2-4-13-21-16/h1-6,15H,7-14H2,(H,21,24)(H,22,25)(H,23,26)(H,27,28)/b3-1+,4-2+,6-5+/t15-/m1/s1
InChIKey AICXLNBMRWBVHV-UJLMKENFSA-N
Mol Weight 421.45 g/mol
Molecular Formula C20H27N3O7
Exact Mass 421.1849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 71jQua9mJGW
Name Succinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27N3O7
InChI InChI=1S/C20H27N3O7/c24-16-7-1-3-12-22-17(25)9-5-6-15(14-30-20(29)11-10-19(27)28)23-18(26)8-2-4-13-21-16/h1-6,15H,7-14H2,(H,21,24)(H,22,25)(H,23,26)(H,27,28)/b3-1+,4-2+,6-5+/t15-/m1/s1
InChIKey AICXLNBMRWBVHV-UJLMKENFSA-N
Molecular Weight 421.450 g/mol
SMILES N1[C@@](COC(CCC(=O)O)=O)(\C=C\CC(NC\C=C\CC(NC\C=C\CC1=O)=O)=O)[H]
SPLASH splash10-0005-9071000000-273435da2487f8659915
Source of Spectrum QE-15-4436-3
Synonyms 6,12,18-Trioxo-2-{2'-(hydroxycarbonyl)ethyl]carbonyloxymethyl}-1,7,13-triazaoctadecacyclo-3,10,15-triene
Wiley ID 1692885