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1H-Inden-1-one, 2,3-dihydro-2-hydroxy-2-(2-methyl-2-nitropropyl)-
SpectraBase Compound ID BLbLaI5fVfB
InChI InChI=1S/C13H15NO4/c1-12(2,14(17)18)8-13(16)7-9-5-3-4-6-10(9)11(13)15/h3-6,16H,7-8H2,1-2H3
InChIKey OYANJIMPWAHOHW-UHFFFAOYSA-N
Mol Weight 249.27 g/mol
Molecular Formula C13H15NO4
Exact Mass 249.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CDTtVaifhgQ
Name 1H-Inden-1-one, 2,3-dihydro-2-hydroxy-2-(2-methyl-2-nitropropyl)-
Alternate Name(s) 2-Hydroxy-2-(2'-methyl-2'-nitropropyl)indan-1-one 2-Hydroxy-2-(2-methyl-2-nitropropyl)-1-indanone
CAS Registry Number 91420-89-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO4
InChI InChI=1S/C13H15NO4/c1-12(2,14(17)18)8-13(16)7-9-5-3-4-6-10(9)11(13)15/h3-6,16H,7-8H2,1-2H3
InChIKey OYANJIMPWAHOHW-UHFFFAOYSA-N
Molecular Weight 249.266 g/mol
SMILES OC1(C(c2ccccc2C1)=O)CC(N(=O)=O)(C)C
SPLASH splash10-00kv-1900000000-491d97f27896cc50338e
Source of Spectrum B-37-595-0
Wiley ID 1252118