For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-(3-Formylbutyl)-1,2,2-trimethyl-4-cyclohexanone
SpectraBase Compound ID CaTIN5L00ZL
InChI InChI=1S/C14H24O2/c1-10(9-15)5-7-12-13(16)8-6-11(2)14(12,3)4/h9-12H,5-8H2,1-4H3/t10?,11-,12-/m1/s1
InChIKey UPKRETODUZBDOX-PQDIPPBSSA-N
Mol Weight 224.34 g/mol
Molecular Formula C14H24O2
Exact Mass 224.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DnBmPfUpS7b
Name 3-(3-Formylbutyl)-1,2,2-trimethyl-4-cyclohexanone
Alternate Name(s) 2-Methyl-4-((1S,3R)-2,2,3-trimethyl-6-oxo-cyclohexyl)-butyraldehyde 2-Methyl-4-(2,2,3-trimethyl-6-oxocyclohexyl)butanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H24O2
InChI InChI=1S/C14H24O2/c1-10(9-15)5-7-12-13(16)8-6-11(2)14(12,3)4/h9-12H,5-8H2,1-4H3/t10?,11-,12-/m1/s1
InChIKey UPKRETODUZBDOX-PQDIPPBSSA-N
Molecular Weight 224.344 g/mol
SMILES C1([C@@](C(=O)CC[C@]1(C)[H])(CCC(C=O)C)[H])(C)C
SPLASH splash10-005c-7900000000-93d4a0f2cfd24c74a679
Source of Spectrum F-52-6980-8
Wiley ID 796748