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1-Nitro-5,18-dioxabicyclo[14.4.3.1(4,19).0(9,14)]heneicosa-2,4(20),9(14),10,12,19(1)-hexaene-7,11-diyne
SpectraBase Compound ID HhIrxNp5uQt
InChI InChI=1S/C18H11NO4/c20-19(21)17-10-9-16-13-18(17)23-12-4-8-15-6-2-1-5-14(15)7-3-11-22-16/h1-2,5-6,9-10,13H,11-12H2
InChIKey SPMDWDQIAFYQMZ-UHFFFAOYSA-N
Mol Weight 305.29 g/mol
Molecular Formula C18H11NO4
Exact Mass 305.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1LmWdss092
Name 1-Nitro-5,18-dioxabicyclo[14.4.3.1(4,19).0(9,14)]heneicosa-2,4(20),9(14),10,12,19(1)-hexaene-7,11-diyne
Alternate Name(s) 17-nitro-2,15-dioxatricyclo[14.3.1.0(6,11)]icosa-1(20),6,8,10,16,18-hexaene-4,12-diyne
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H11NO4
InChI InChI=1S/C18H11NO4/c20-19(21)17-10-9-16-13-18(17)23-12-4-8-15-6-2-1-5-14(15)7-3-11-22-16/h1-2,5-6,9-10,13H,11-12H2
InChIKey SPMDWDQIAFYQMZ-UHFFFAOYSA-N
Molecular Weight 305.289 g/mol
SMILES c1(N(=O)=O)c2cc(OCC#Cc3c(C#CCO2)cccc3)cc1
SPLASH splash10-0uy0-0930000000-0c481f7e99f90fa5986b
Source of Spectrum D1-2000-876-17
Wiley ID 835437