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3-Methyl-7-nitro-1H-isochromen-1-one
SpectraBase Compound ID JoWqeUW2Z6q
InChI InChI=1S/C10H7NO4/c1-6-4-7-2-3-8(11(13)14)5-9(7)10(12)15-6/h2-5H,1H3
InChIKey NMFRHGFYCWJOLG-UHFFFAOYSA-N
Mol Weight 205.17 g/mol
Molecular Formula C10H7NO4
Exact Mass 205.037508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A9GfyzmWvw0
Name 3-Methyl-7-nitro-1H-isochromen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H7NO4
InChI InChI=1S/C10H7NO4/c1-6-4-7-2-3-8(11(13)14)5-9(7)10(12)15-6/h2-5H,1H3
InChIKey NMFRHGFYCWJOLG-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo300501j
Molecular Weight 205.169 g/mol
SMILES c1(cc2C(OC(=Cc2cc1)C)=O)[N+](=O)[O-]
SPLASH splash10-0a4i-0490000000-eeb1957ef98f98c0f658
Source of Spectrum J-77-5027-3i
Synonyms 3-Methyl-7-nitro-2-benzopyran-1-one 3-Methyl-7-nitroisochromen-1-one 3-Methyl-7-nitro-isochromen-1-one
Wiley ID 1745114