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3-ACETYL-6-NITRO-2H-1-BENZOPYRAN-2-ONE
SpectraBase Compound ID Br4wZC9T6og
InChI InChI=1S/C11H7NO5/c1-6(13)9-5-7-4-8(12(15)16)2-3-10(7)17-11(9)14/h2-5H,1H3
InChIKey GRICKQQNBMVHCM-UHFFFAOYSA-N
Mol Weight 233.18 g/mol
Molecular Formula C11H7NO5
Exact Mass 233.032422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Etd55Etc5it
Name 3-Acetyl-6-nitro-2H-chromen-2-one
CAS Registry Number 53653-67-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H7NO5
InChI InChI=1S/C11H7NO5/c1-6(13)9-5-7-4-8(12(15)16)2-3-10(7)17-11(9)14/h2-5H,1H3
InChIKey GRICKQQNBMVHCM-UHFFFAOYSA-N
Molecular Weight 233.179 g/mol
SMILES C=1(C(Oc2c(C1)cc(N(=O)=O)cc2)=O)C(=O)C
SPLASH splash10-0006-9110000000-7761e7860e89b5205c22
Source of Spectrum AD-0-2532-0
Synonyms 2H-1-Benzopyran-2-one, 3-acetyl-6-nitro- 3-Acetyl-6-nitro-1-benzopyran-2-one 3-Acetyl-6-nitro-chromen-2-one 3-Acetyl-6-nitro-coumarin 3-Ethanoyl-6-nitro-chromen-2-one Coumarin, 3-acetyl-6-nitro-
Wiley ID 1419052