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2-(16-[Amino(phenyl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl)-2-oxo-1-phenylethylamine
SpectraBase Compound ID 2QsW3pkQa76
InChI InChI=1S/C28H40N4O6/c29-25(23-7-3-1-4-8-23)27(33)31-11-15-35-19-21-37-17-13-32(14-18-38-22-20-36-16-12-31)28(34)26(30)24-9-5-2-6-10-24/h1-10,25-26H,11-22,29-30H2
InChIKey WHCFSMHEJMBLBY-UHFFFAOYSA-N
Mol Weight 528.7 g/mol
Molecular Formula C28H40N4O6
Exact Mass 528.294785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BwyloT1yHqN
Name 2-(16-[Amino(phenyl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl)-2-oxo-1-phenylethylamine
CAS Registry Number 93788-01-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H40N4O6
InChI InChI=1S/C28H40N4O6/c29-25(23-7-3-1-4-8-23)27(33)31-11-15-35-19-21-37-17-13-32(14-18-38-22-20-36-16-12-31)28(34)26(30)24-9-5-2-6-10-24/h1-10,25-26H,11-22,29-30H2
InChIKey WHCFSMHEJMBLBY-UHFFFAOYSA-N
Molecular Weight 528.650 g/mol
SMILES NC(C(N1CCOCCOCCN(C(C(c2ccccc2)N)=O)CCOCCOCC1)=O)c1ccccc1
SPLASH splash10-0a4l-3964000000-e6e77ce38dc8016e43c5
Source of Spectrum W5-1989-37189-28347
Synonyms (R,R)-Bis(phenylglycyl)diaza-18-crown-6 2-Amino-1-[16-(2-amino-1-oxo-2-phenylethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-phenylethanone 2-Amino-1-[16-(2-amino-2-phenyl-acetyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-phenyl-ethanone 2-Azanyl-1-[16-(2-azanyl-2-phenyl-ethanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-phenyl-ethanone
Wiley ID 1403063