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GRKGPRVKUQAYIM-UHFFFAOYSA-N
SpectraBase Compound ID KTpD1eMOv8K
InChI InChI=1S/C13H5N3O8/c17-12-8-3-6(14(18)19)1-2-11(8)24-13-9(12)4-7(15(20)21)5-10(13)16(22)23/h1-5H
InChIKey GRKGPRVKUQAYIM-UHFFFAOYSA-N
Mol Weight 331.2 g/mol
Molecular Formula C13H5N3O8
Exact Mass 331.007664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9dp2TUgQJqM
Name 2,4,7-Trinitroxanthen-9-one
Alternate Name(s) 2,4,7-trinitro-9-xanthenone 2,4,7-Trinitro-9H-xanthen-9-one 2,4,7-Trinitroxanthone
CAS Registry Number 131032-92-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H5N3O8
InChI InChI=1S/C13H5N3O8/c17-12-8-3-6(14(18)19)1-2-11(8)24-13-9(12)4-7(15(20)21)5-10(13)16(22)23/h1-5H
InChIKey GRKGPRVKUQAYIM-UHFFFAOYSA-N
Molecular Weight 331.196 g/mol
SMILES c1(N(=O)=O)c2c(C(c3c(O2)ccc(N(=O)=O)c3)=O)cc(N(=O)=O)c1
SPLASH splash10-001i-8957000000-5afdaeaad0a5f8b90a6a
Wiley ID 1474665