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2-Octanone, 1-nitro-
SpectraBase Compound ID BnC8BvJL2rg
InChI InChI=1S/C8H15NO3/c1-2-3-4-5-6-8(10)7-9(11)12/h2-7H2,1H3
InChIKey CRGCBMPLEALRLX-UHFFFAOYSA-N
Mol Weight 173.21 g/mol
Molecular Formula C8H15NO3
Exact Mass 173.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZWVxn0DTwn
Name 2-Octanone, 1-nitro-
Alternate Name(s) 1-Nitrooctan-2-one 1-Nitro-2-octanone beta keto 1-nitro octane
CAS Registry Number 16067-01-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H15NO3
InChI InChI=1S/C8H15NO3/c1-2-3-4-5-6-8(10)7-9(11)12/h2-7H2,1H3
InChIKey CRGCBMPLEALRLX-UHFFFAOYSA-N
Molecular Weight 173.212 g/mol
SMILES C(C(CN(=O)=O)=O)CCCCC
SPLASH splash10-002f-9000000000-847e00fddebef33fb3e9
Source of Spectrum AA-0-1164-2
Wiley ID 16367