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2-Nitro-2-[(p-tolyl)methyl]-3-(acetoxy)-propan-1-ol
SpectraBase Compound ID ImI9ummfp9Q
InChI InChI=1S/C13H17NO5/c1-10-3-5-12(6-4-10)7-13(8-15,14(17)18)9-19-11(2)16/h3-6,15H,7-9H2,1-2H3
InChIKey IWDVKTKUOZNPCQ-UHFFFAOYSA-N
Mol Weight 267.28 g/mol
Molecular Formula C13H17NO5
Exact Mass 267.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IejCrZ0L3sN
Name 2-Nitro-2-[(p-tolyl)methyl]-3-(acetoxy)-propan-1-ol
Alternate Name(s) 2-Nitro-2-[(p-tolyl)methyl]-3-(acetoxymethyl)-propan-1-ol 3-Hydroxy-2-(4-methylbenzyl)-2-nitropropyl acetate
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Formula C13H17NO5
InChI InChI=1S/C13H17NO5/c1-10-3-5-12(6-4-10)7-13(8-15,14(17)18)9-19-11(2)16/h3-6,15H,7-9H2,1-2H3
InChIKey IWDVKTKUOZNPCQ-UHFFFAOYSA-N
Molecular Weight 267.281 g/mol
SMILES OCC(N(=O)=O)(Cc1ccc(cc1)C)COC(=O)C
SPLASH splash10-0536-2900000000-62ef3e1c69d9dff4e8ae
Source of Spectrum D1-2006-1204-2
Wiley ID 1614056