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3,3,5-Trimethylhexahydroazepine,mixture of isomers

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

3,3,5-Trimethylhexahydroazepine,mixture of isomers
SpectraBase Compound ID 4XApf26Desn
InChI InChI=1S/C9H19N/c1-8-4-5-10-7-9(2,3)6-8/h8,10H,4-7H2,1-3H3
InChIKey YBRAVTNTXVZNMD-UHFFFAOYSA-N
Mol Weight 141.26 g/mol
Molecular Formula C9H19N
Exact Mass 141.15175 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1XZ9Ao802rF
Name 3,3,5-Trimethylhexahydroazepine,mixture of isomers
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 194808
CAS Registry Number 35466-89-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H19N
InChI InChI=1S/C9H19N/c1-8-4-5-10-7-9(2,3)6-8/h8,10H,4-7H2,1-3H3
InChIKey YBRAVTNTXVZNMD-UHFFFAOYSA-N
Observed nucleus 13C
Purity 85%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 3,3,5-Trimethyl-1-azacycloheptane
Wiley ID SIAL_13CNMR_002709