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(6-nitro-4H-1,3-benzodioxin-8-yl)methyl acetate
SpectraBase Compound ID Aa6pZav04qP
InChI InChI=1S/C11H11NO6/c1-7(13)17-5-9-3-10(12(14)15)2-8-4-16-6-18-11(8)9/h2-3H,4-6H2,1H3
InChIKey FHUUCMACJIVTHA-UHFFFAOYSA-N
Mol Weight 253.21 g/mol
Molecular Formula C11H11NO6
Exact Mass 253.058637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BCAulWkrVhn
Name (6-nitro-4H-1,3-benzodioxin-8-yl)methyl acetate
CAS Registry Number 127679-89-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NO6
InChI InChI=1S/C11H11NO6/c1-7(13)17-5-9-3-10(12(14)15)2-8-4-16-6-18-11(8)9/h2-3H,4-6H2,1H3
InChIKey FHUUCMACJIVTHA-UHFFFAOYSA-N
Molecular Weight 253.210 g/mol
SMILES c1(N(=O)=O)cc2COCOc2c(c1)COC(=O)C
SPLASH splash10-01q9-0920000000-c35d72985f01ca7f663f
Source of Spectrum F-46-675-19
Synonyms (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ethanoate Acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester
Wiley ID 1256576