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9,10,11-trinitro-2,3,4,5,6,7-hexahydro-1,8-benzodioxecin
SpectraBase Compound ID EjECCouAGzB
InChI InChI=1S/C12H13N3O8/c16-13(17)8-7-9-12(11(15(20)21)10(8)14(18)19)23-6-4-2-1-3-5-22-9/h7H,1-6H2
InChIKey BGMIAQUALLMQSF-UHFFFAOYSA-N
Mol Weight 327.25 g/mol
Molecular Formula C12H13N3O8
Exact Mass 327.070264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6hg9E06DQqI
Name 9,10,11-trinitro-2,3,4,5,6,7-hexahydro-1,8-benzodioxecin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N3O8
InChI InChI=1S/C12H13N3O8/c16-13(17)8-7-9-12(11(15(20)21)10(8)14(18)19)23-6-4-2-1-3-5-22-9/h7H,1-6H2
InChIKey BGMIAQUALLMQSF-UHFFFAOYSA-N
Molecular Weight 327.249 g/mol
SMILES c1(c(N(=O)=O)c2OCCCCCCOc2cc1N(=O)=O)N(=O)=O
SPLASH splash10-0a5c-9100000000-8554c252d37a151c6380
Source of Spectrum Y-28-633-13
Synonyms 9,10,11-trinitro-2,3,4,5,6,7-hexahydro-1,8-benzodioxecine
Wiley ID 1325340