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di(3-nitro-4-acetylaminobenzo)-18-crown-6
SpectraBase Compound ID CpBDcKjHGBg
InChI InChI=1S/C24H28N4O12/c1-15(29)25-17-3-5-19-23(21(17)27(31)32)39-13-9-36-10-14-40-24-20(38-12-8-35-7-11-37-19)6-4-18(26-16(2)30)22(24)28(33)34/h3-6H,7-14H2,1-2H3,(H,25,29)(H,26,30)
InChIKey TVNDJNWNSVFCJO-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 FZxZ5fATPtY
Name di(3-nitro-4-acetylaminobenzo)-18-crown-6
Alternate Name(s) N-[14-(acetylamino)-1,15-dinitro-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H28N4O12
InChI InChI=1S/C24H28N4O12/c1-15(29)25-17-3-5-19-23(21(17)27(31)32)39-13-9-36-10-14-40-24-20(38-12-8-35-7-11-37-19)6-4-18(26-16(2)30)22(24)28(33)34/h3-6H,7-14H2,1-2H3,(H,25,29)(H,26,30)
InChIKey TVNDJNWNSVFCJO-UHFFFAOYSA-N
Molecular Weight 564.504 g/mol
SMILES N(c1c(c2c(OCCOCCOc3c(c(c(cc3)NC(=O)C)N(=O)=O)OCCOCCO2)cc1)N(=O)=O)C(=O)C
SPLASH splash10-0f6t-0900000000-7abd77d409195331bf37
Source of Spectrum HC-22-618-0
Wiley ID 1407087