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2-(3-hydroxybutyl)-2-nitro-1-cyclooctanone
SpectraBase Compound ID Hedm7d23XIo
InChI InChI=1S/C12H21NO4/c1-10(14)7-9-12(13(16)17)8-5-3-2-4-6-11(12)15/h10,14H,2-9H2,1H3
InChIKey LZWWLACDXFPXMV-UHFFFAOYSA-N
Mol Weight 243.3 g/mol
Molecular Formula C12H21NO4
Exact Mass 243.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CYtD5aFsn0I
Name 2-(3-hydroxybutyl)-2-nitro-1-cyclooctanone
Alternate Name(s) 2-(3-hydroxybutyl)-2-nitro-cyclooctanone 2-(3-hydroxybutyl)-2-nitrocyclooctan-1-one 2-Nitro-2-(3-oxidanylbutyl)cyclooctan-1-one
CAS Registry Number 86911-18-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H21NO4
InChI InChI=1S/C12H21NO4/c1-10(14)7-9-12(13(16)17)8-5-3-2-4-6-11(12)15/h10,14H,2-9H2,1H3
InChIKey LZWWLACDXFPXMV-UHFFFAOYSA-N
Molecular Weight 243.303 g/mol
SMILES OC(CCC1(N(=O)=O)C(=O)CCCCCC1)C
SPLASH splash10-05ng-9000000000-867f5bbb1d6ed7741728
Source of Spectrum H-67-1721-0
Wiley ID 1245953