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16-Nitro-3,6,9,12-tetraoxabicyclo[12.3.1]octadeca-1(18),14,16-triene-18-ol
SpectraBase Compound ID 3byqIcS9VnZ
InChI InChI=1S/C14H19NO7/c16-14-11-7-13(15(17)18)8-12(14)10-22-6-4-20-2-1-19-3-5-21-9-11/h7-8,16H,1-6,9-10H2
InChIKey VUCBEBLWWNLULI-UHFFFAOYSA-N
Mol Weight 313.31 g/mol
Molecular Formula C14H19NO7
Exact Mass 313.116152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XTQCeNcG4u
Name 16-Nitro-3,6,9,12-tetraoxabicyclo[12.3.1]octadeca-1(18),14,16-triene-18-ol
Alternate Name(s) 16-nitro-3,6,9,12-tetraoxabicyclo[12.3.1]octadeca-1(18),14,16-trien-18-ol
CAS Registry Number 65112-37-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19NO7
InChI InChI=1S/C14H19NO7/c16-14-11-7-13(15(17)18)8-12(14)10-22-6-4-20-2-1-19-3-5-21-9-11/h7-8,16H,1-6,9-10H2
InChIKey VUCBEBLWWNLULI-UHFFFAOYSA-N
Molecular Weight 313.306 g/mol
SMILES Oc1c2cc(N(=O)=O)cc1COCCOCCOCCOC2
SPLASH splash10-0002-9402000000-7113042e5d5c045a6b8a
Source of Spectrum U-1993-30-10
Wiley ID 764803