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4-NITRO-1,2-BENZODIOXANE
SpectraBase Compound ID KC6QmpSZNYM
InChI InChI=1S/C8H7NO4/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2
InChIKey MQSGCURTKWHBRX-UHFFFAOYSA-N
Mol Weight 181.15 g/mol
Molecular Formula C8H7NO4
Exact Mass 181.037508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12Is5YoiHPk
Name 1,4-Benzodioxin, 2,3-dihydro-6-nitro-
CAS Registry Number 16498-20-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NO4
InChI InChI=1S/C8H7NO4/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2
InChIKey MQSGCURTKWHBRX-UHFFFAOYSA-N
Molecular Weight 181.147 g/mol
SMILES c1(cc2c(cc1)OCCO2)N(=O)=O
SPLASH splash10-0zir-8900000000-84ee0d5c1257aa551793
Source of Spectrum B-30-679-2
Synonyms 6-Nitro-2,3-dihydro-1,4-benzodioxine 1,4-Benzodioxan, 6-nitro- 1,4-Benzodioxane, 6-nitro- 2,3-Dihydro-6-nitro-1,4-benzodioxin 6-Nitro-1,4-benzodioxan 6-Nitro-1,4-benzodioxane 6-Nitro-2,3-dihydro-1,4-benzodioxin 6-Nitro-2,3-dihydro-benzo[1,4]dioxine EINECS 240-565-2
Wiley ID 1177283