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1-(Benzo[d][1,3]dioxol-6-yl)-3-methyl-2-(nitromethyl)butan-1-one
SpectraBase Compound ID F3nzwR6XCqk
InChI InChI=1S/C13H15NO5/c1-8(2)10(6-14(16)17)13(15)9-3-4-11-12(5-9)19-7-18-11/h3-5,8,10H,6-7H2,1-2H3
InChIKey ZYVAZSWERUFNGL-UHFFFAOYSA-N
Mol Weight 265.26 g/mol
Molecular Formula C13H15NO5
Exact Mass 265.095023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16Gij77WBu
Name 1-(Benzo[d][1,3]dioxol-6-yl)-3-methyl-2-(nitromethyl)butan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO5
InChI InChI=1S/C13H15NO5/c1-8(2)10(6-14(16)17)13(15)9-3-4-11-12(5-9)19-7-18-11/h3-5,8,10H,6-7H2,1-2H3
InChIKey ZYVAZSWERUFNGL-UHFFFAOYSA-N
Molecular Weight 265.265 g/mol
SMILES C(N(=O)=O)C(C(c1cc2OCOc2cc1)=O)C(C)C
SPLASH splash10-0002-0910000000-bc4ce0bb95e41f9cfcf7
Source of Spectrum J-73-9645-6b
Wiley ID 1668825