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7-Benzyl-3,11-dioxo-1,4,7,10,13-pentaazabicyclo[11.3.2]octadecane
SpectraBase Compound ID 7Dh6MGApiNI
InChI InChI=1S/C20H31N5O2/c26-19-16-23-9-4-10-24(14-13-23)17-20(27)22-8-12-25(11-7-21-19)15-18-5-2-1-3-6-18/h1-3,5-6H,4,7-17H2,(H,21,26)(H,22,27)
InChIKey QJUHROFOGWTTJS-UHFFFAOYSA-N
Mol Weight 373.5 g/mol
Molecular Formula C20H31N5O2
Exact Mass 373.247775 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I61F53MQmtA
Name 7-Benzyl-3,11-dioxo-1,4,7,10,13-pentaazabicyclo[11.3.2]octadecane
Alternate Name(s) 7-Benzyl-1,4,7,10,13-pentaazabicyclo[11.3.2]octadecane-3,11-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31N5O2
InChI InChI=1S/C20H31N5O2/c26-19-16-23-9-4-10-24(14-13-23)17-20(27)22-8-12-25(11-7-21-19)15-18-5-2-1-3-6-18/h1-3,5-6H,4,7-17H2,(H,21,26)(H,22,27)
InChIKey QJUHROFOGWTTJS-UHFFFAOYSA-N
Molecular Weight 373.501 g/mol
SMILES N1CCN(CCNC(CN2CCN(CC1=O)CCC2)=O)Cc1ccccc1
SPLASH splash10-00fu-7916000000-1c270ac7004d80eb8603
Source of Spectrum SB-49-137-5
Wiley ID 1356109