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12-Isopropyl-10,13-dioxo-2-oxa-11,14-diazabicyclo[15.2.2]heneicosa-1(20),17(21),18-triene-15-carboxylic Acid
SpectraBase Compound ID DReiXCj5bte
InChI InChI=1S/C22H32N2O5/c1-15(2)20-21(26)23-18(22(27)28)14-16-9-11-17(12-10-16)29-13-7-5-3-4-6-8-19(25)24-20/h9-12,15,18,20H,3-8,13-14H2,1-2H3,(H,23,26)(H,24,25)(H,27,28)
InChIKey UACSICJLHNOOJM-UHFFFAOYSA-N
Mol Weight 404.5 g/mol
Molecular Formula C22H32N2O5
Exact Mass 404.231122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ecNlo2n2oo
Name 12-Isopropyl-10,13-dioxo-2-oxa-11,14-diazabicyclo[15.2.2]heneicosa-1(20),17(21),18-triene-15-carboxylic Acid
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32N2O5
InChI InChI=1S/C22H32N2O5/c1-15(2)20-21(26)23-18(22(27)28)14-16-9-11-17(12-10-16)29-13-7-5-3-4-6-8-19(25)24-20/h9-12,15,18,20H,3-8,13-14H2,1-2H3,(H,23,26)(H,24,25)(H,27,28)
InChIKey UACSICJLHNOOJM-UHFFFAOYSA-N
Molecular Weight 404.507 g/mol
SMILES N1C(C(=O)O)Cc2ccc(OCCCCCCCC(NC(C1=O)C(C)C)=O)cc2
SPLASH splash10-0a4i-0000900040-216714c357907784f991
Source of Spectrum C-124-5682-5
Wiley ID 1701015