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6-Nitro-3,4-dihydro-2H-1,5-benzodioxepin
SpectraBase Compound ID KAiNjKjnEvl
InChI InChI=1S/C9H9NO4/c11-10(12)7-3-1-4-8-9(7)14-6-2-5-13-8/h1,3-4H,2,5-6H2
InChIKey DOTFLXBYVUHDMY-UHFFFAOYSA-N
Mol Weight 195.17 g/mol
Molecular Formula C9H9NO4
Exact Mass 195.053158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ZMkS2CVapP
Name 6-Nitro-3,4-dihydro-2H-1,5-benzodioxepin
Alternate Name(s) 6-Nitro-3,4-dihydro-2H-1,5-benzodioxepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO4
InChI InChI=1S/C9H9NO4/c11-10(12)7-3-1-4-8-9(7)14-6-2-5-13-8/h1,3-4H,2,5-6H2
InChIKey DOTFLXBYVUHDMY-UHFFFAOYSA-N
Molecular Weight 195.174 g/mol
SMILES c1(N(=O)=O)c2c(OCCCO2)ccc1
SPLASH splash10-052b-7900000000-8917af48d44c5021bf97
Source of Spectrum Y-28-629-3
Wiley ID 1191870