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4-NITRO-1,2-BENZODIOXEPANE

View entire compound with spectra: 3 NMR, and 1 MS (GC)

4-NITRO-1,2-BENZODIOXEPANE
SpectraBase Compound ID KItNCZhjEFX
InChI InChI=1S/C9H9NO4/c11-10(12)7-2-3-8-9(6-7)14-5-1-4-13-8/h2-3,6H,1,4-5H2
InChIKey DYLOYOGDBJZJDV-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 Lnw9rpzdXiF
Name 7-Nitro-3,4-dihydro-2H-1,5-benzodioxepin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO4
InChI InChI=1S/C9H9NO4/c11-10(12)7-2-3-8-9(6-7)14-5-1-4-13-8/h2-3,6H,1,4-5H2
InChIKey DYLOYOGDBJZJDV-UHFFFAOYSA-N
Molecular Weight 195.174 g/mol
SMILES c1(N(=O)=O)cc2OCCCOc2cc1
SPLASH splash10-0002-6900000000-5b7d45b63c130209d862
Source of Spectrum Y-28-629-4
Synonyms 7-Nitro-3,4-dihydro-2H-1,5-benzodioxepine
Wiley ID 1191871