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19-Nitro-3,6,9,12,15-pentaoxabicyclo[15.3.1]heneicosa-1(21),17,19-triene-21-ol
SpectraBase Compound ID ApPDlal7qPj
InChI InChI=1S/C16H23NO8/c18-16-13-9-15(17(19)20)10-14(16)12-25-8-6-23-4-2-21-1-3-22-5-7-24-11-13/h9-10,18H,1-8,11-12H2
InChIKey TVYDQODKHBGSNB-UHFFFAOYSA-N
Mol Weight 357.36 g/mol
Molecular Formula C16H23NO8
Exact Mass 357.142367 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5vAWSOZaeiC
Name 19-Nitro-3,6,9,12,15-pentaoxabicyclo[15.3.1]heneicosa-1(21),17,19-triene-21-ol
Alternate Name(s) 19-nitro-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-trien-21-ol
CAS Registry Number 65112-38-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23NO8
InChI InChI=1S/C16H23NO8/c18-16-13-9-15(17(19)20)10-14(16)12-25-8-6-23-4-2-21-1-3-22-5-7-24-11-13/h9-10,18H,1-8,11-12H2
InChIKey TVYDQODKHBGSNB-UHFFFAOYSA-N
Molecular Weight 357.359 g/mol
SMILES Oc1c2COCCOCCOCCOCCOCc1cc(c2)N(=O)=O
SPLASH splash10-0002-9101000000-a863e2de92dd7ccb1f8c
Source of Spectrum U-1993-30-10
Wiley ID 764802