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15H-14,18-Methano-6H,14H-dibenzo[b,i][1,11,4,8]dioxadiazacyclotetrad ecin-19-one, 7,8,16,17-tetrahydro-4,10-dinitro-
SpectraBase Compound ID DDOlSwFH5iE
InChI InChI=1S/C19H18N4O7/c24-19-20-9-3-10-21(19)14-6-2-8-16(23(27)28)18(14)30-12-4-11-29-17-13(20)5-1-7-15(17)22(25)26/h1-2,5-8H,3-4,9-12H2
InChIKey YXIVNPJJDVGUDX-UHFFFAOYSA-N
Mol Weight 414.37 g/mol
Molecular Formula C19H18N4O7
Exact Mass 414.117549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LVYxcRrmfle
Name 15H-14,18-Methano-6H,14H-dibenzo[b,i][1,11,4,8]dioxadiazacyclotetrad ecin-19-one, 7,8,16,17-tetrahydro-4,10-dinitro-
CAS Registry Number 107913-51-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18N4O7
InChI InChI=1S/C19H18N4O7/c24-19-20-9-3-10-21(19)14-6-2-8-16(23(27)28)18(14)30-12-4-11-29-17-13(20)5-1-7-15(17)22(25)26/h1-2,5-8H,3-4,9-12H2
InChIKey YXIVNPJJDVGUDX-UHFFFAOYSA-N
Molecular Weight 414.374 g/mol
SMILES C1(N2c3c(c(N(=O)=O)ccc3)OCCCOc3c(N1CCC2)cccc3N(=O)=O)=O
SPLASH splash10-03di-0900000000-e7af23efd4fa3c3d4356
Source of Spectrum C-109-3105-15
Synonyms 6,14-dinitro-8,12-dioxa-1,19-diazatetracyclo[17.3.1.0(2,7).0(13,18)]tricosa-2,4,6,13,15,17-hexaen-23-one 7,8,16,17-Tetrahydro-4,10-dinitro-15H-14,18-methano-6H,14H-dibenzo[b,i][1,11,4,8]dioxadiazacyclotetradecan-19-one
Wiley ID 1375228