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11-Isopropyl-9,12-dioxo-2-oxa-10,13-diazabicyclo[14.2.2]eicosa-1(19),16(20),17-triene-14-carboxylic Acid
SpectraBase Compound ID 1DzIDO8j70M
InChI InChI=1S/C21H30N2O5/c1-14(2)19-20(25)22-17(21(26)27)13-15-8-10-16(11-9-15)28-12-6-4-3-5-7-18(24)23-19/h8-11,14,17,19H,3-7,12-13H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)
InChIKey MNGLCBCTHOEHHK-UHFFFAOYSA-N
Mol Weight 390.48 g/mol
Molecular Formula C21H30N2O5
Exact Mass 390.215472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 58MKKgWrDvF
Name 11-Isopropyl-9,12-dioxo-2-oxa-10,13-diazabicyclo[14.2.2]eicosa-1(19),16(20),17-triene-14-carboxylic Acid
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30N2O5
InChI InChI=1S/C21H30N2O5/c1-14(2)19-20(25)22-17(21(26)27)13-15-8-10-16(11-9-15)28-12-6-4-3-5-7-18(24)23-19/h8-11,14,17,19H,3-7,12-13H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)
InChIKey MNGLCBCTHOEHHK-UHFFFAOYSA-N
Molecular Weight 390.480 g/mol
SMILES N1C(C(=O)O)Cc2ccc(OCCCCCCC(NC(C1=O)C(C)C)=O)cc2
SPLASH splash10-000x-0009000500-e318742dfd98c8f548e3
Source of Spectrum C-124-5682-4
Wiley ID 1701016