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3,7-Dimethyl-7-hydroxy-octanonitrile

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3,7-Dimethyl-7-hydroxy-octanonitrile
SpectraBase Compound ID 1YP58bA5sX
InChI InChI=1S/C10H19NO/c1-9(6-8-11)5-4-7-10(2,3)12/h9,12H,4-7H2,1-3H3
InChIKey UQHYGZPJERPFLI-UHFFFAOYSA-N
Mol Weight 169.27 g/mol
Molecular Formula C10H19NO
Exact Mass 169.146664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4LKxgDpMBSv
Name Octanenitrile, 7-hydroxy-3,7-dimethyl-
Alternate Name(s) 3,7-Dimethyl-7-oxidanyl-octanenitrile 7-Hydroxy-3,7-dimethyl-caprylonitrile 7-Hydroxy-3,7-dimethyl-octanenitrile 7-Hydroxy-3,7-dimethyloctan-1-nitrile EINECS 272-309-0
CAS Registry Number 68797-68-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H19NO
InChI InChI=1S/C10H19NO/c1-9(6-8-11)5-4-7-10(2,3)12/h9,12H,4-7H2,1-3H3
InChIKey UQHYGZPJERPFLI-UHFFFAOYSA-N
Molecular Weight 169.268 g/mol
SMILES OC(CCCC(CC#N)C)(C)C
SPLASH splash10-052e-9100000000-4e5533f45ec35c69c7a7
Source of Spectrum H-61-2576-0
Wiley ID 1165878