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5,6-Dimethoxy-3-methyl-7-nitro-1-indanone
SpectraBase Compound ID 6hu4wGKDsJo
InChI InChI=1S/C12H13NO5/c1-6-4-8(14)10-7(6)5-9(17-2)12(18-3)11(10)13(15)16/h5-6H,4H2,1-3H3
InChIKey KTQZKIHTMWIGRJ-UHFFFAOYSA-N
Mol Weight 251.24 g/mol
Molecular Formula C12H13NO5
Exact Mass 251.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2x6ffPMOMRG
Name 5,6-Dimethoxy-3-methyl-7-nitro-1-indanone
CAS Registry Number 77611-67-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO5
InChI InChI=1S/C12H13NO5/c1-6-4-8(14)10-7(6)5-9(17-2)12(18-3)11(10)13(15)16/h5-6H,4H2,1-3H3
InChIKey KTQZKIHTMWIGRJ-UHFFFAOYSA-N
Molecular Weight 251.238 g/mol
SMILES CC1CC(c2c1cc(c(c2N(=O)=O)OC)OC)=O
SPLASH splash10-0zfr-7930000000-ab32f06b5ae659dc4b3a
Source of Spectrum W5-0-0-0
Synonyms 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-3-methyl-7-nitro- 5,6-Dimethoxy-3-methyl-7-nitro-2,3-dihydroinden-1-one 5,6-Dimethoxy-3-methyl-7-nitro-indan-1-one
Wiley ID 1254388