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

*Links on SpectraBase are not permalinks.

2-Isopropylamino-6,6-dimethyl-heptan-3-en-5-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

2-Isopropylamino-6,6-dimethyl-heptan-3-en-5-one
SpectraBase Compound ID 5IaLMqAhx0q
InChI InChI=1S/C12H23NO/c1-9(2)13-10(3)7-8-11(14)12(4,5)6/h7-10,13H,1-6H3/b8-7+
InChIKey RVJMHIKWCAULOX-BQYQJAHWSA-N
Mol Weight 197.32 g/mol
Molecular Formula C12H23NO
Exact Mass 197.177964 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID U18An5syhq
Name 2-Isopropylamino-6,6-dimethyl-heptan-3-en-5-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 197.177964364 u
Formula C12H23NO
InChI InChI=1S/C12H23NO/c1-9(2)13-10(3)7-8-11(14)12(4,5)6/h7-10,13H,1-6H3/b8-7+
InChIKey RVJMHIKWCAULOX-BQYQJAHWSA-N
Molecular Weight 197.322 g/mol
SMILES C(\C=C\C(NC(C)C)C)(C(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.888254