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12-Benzyl-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicosane-11,14,18-trione
SpectraBase Compound ID 4BWqdcC41RI
InChI InChI=1S/C21H30N2O8/c24-19-15-30-16-20(25)31-18(14-17-4-2-1-3-5-17)21(26)23-7-9-28-11-13-29-12-10-27-8-6-22-19/h1-5,18H,6-16H2,(H,22,24)(H,23,26)
InChIKey DNKRVFHPNYLAAT-UHFFFAOYSA-N
Mol Weight 438.48 g/mol
Molecular Formula C21H30N2O8
Exact Mass 438.200216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7zMuglHHd6c
Name 12-Benzyl-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicosane-11,14,18-trione
CAS Registry Number 79688-24-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30N2O8
InChI InChI=1S/C21H30N2O8/c24-19-15-30-16-20(25)31-18(14-17-4-2-1-3-5-17)21(26)23-7-9-28-11-13-29-12-10-27-8-6-22-19/h1-5,18H,6-16H2,(H,22,24)(H,23,26)
InChIKey DNKRVFHPNYLAAT-UHFFFAOYSA-N
Molecular Weight 438.477 g/mol
SMILES N1C(C(OC(COCC(NCCOCCOCCOCC1)=O)=O)Cc1ccccc1)=O
SPLASH splash10-00e9-6910000000-7ce4349d6138c1dc6101
Source of Spectrum W5-1989-37176-28360
Synonyms 12-(phenylmethyl)-1,4,7,13,16-pentaoxa-10,19-diazacycloheneicosane-11,14,18-trione 12-(phenylmethyl)-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicosane-11,14,18-trione 12-Benzyl-1,4,7,13,16-pentaoxa-10,19-diazacycloheneicosane-11,14,18-trione
Wiley ID 1384059