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di(3-acetylamino-4-nitrobenzo)-18-crown-6
SpectraBase Compound ID 8KRmEQjUxhl
InChI InChI=1S/C24H28N4O12/c1-15(29)25-21-17(27(31)32)3-5-19-23(21)39-13-9-36-10-14-40-24-20(38-12-8-35-7-11-37-19)6-4-18(28(33)34)22(24)26-16(2)30/h3-6H,7-14H2,1-2H3,(H,25,29)(H,26,30)
InChIKey PULNWVYAXZHMQG-UHFFFAOYSA-N
Mol Weight 564.5 g/mol
Molecular Formula C24H28N4O12
Exact Mass 564.170372 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EdBYWmTR6tD
Name di(3-acetylamino-4-nitrobenzo)-18-crown-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H28N4O12
InChI InChI=1S/C24H28N4O12/c1-15(29)25-21-17(27(31)32)3-5-19-23(21)39-13-9-36-10-14-40-24-20(38-12-8-35-7-11-37-19)6-4-18(28(33)34)22(24)26-16(2)30/h3-6H,7-14H2,1-2H3,(H,25,29)(H,26,30)
InChIKey PULNWVYAXZHMQG-UHFFFAOYSA-N
Molecular Weight 564.504 g/mol
SMILES N(c1c2OCCOCCOc3c(ccc(c3NC(=O)C)N(=O)=O)OCCOCCOc2ccc1N(=O)=O)C(=O)C
SPLASH splash10-0005-4900000000-71bc19a7a9366bbee272
Source of Spectrum HC-22-618-0
Synonyms N-[15-(acetylamino)-2,14-dinitro-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-1-yl]acetamide
Wiley ID 1407086