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1-(2,4,6-Trimethylbenzyl)azepane

View entire compound with spectra: 1 MS (GC)

1-(2,4,6-Trimethylbenzyl)azepane
SpectraBase Compound ID 34rA9v18JTb
InChI InChI=1S/C16H25N/c1-13-10-14(2)16(15(3)11-13)12-17-8-6-4-5-7-9-17/h10-11H,4-9,12H2,1-3H3
InChIKey NNKFLDRUTISIEC-UHFFFAOYSA-N
Mol Weight 231.38 g/mol
Molecular Formula C16H25N
Exact Mass 231.1987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ISg3389DCem
Name 1-(2,4,6-Trimethylbenzyl)azepane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25N
InChI InChI=1S/C16H25N/c1-13-10-14(2)16(15(3)11-13)12-17-8-6-4-5-7-9-17/h10-11H,4-9,12H2,1-3H3
InChIKey NNKFLDRUTISIEC-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cssc.201900519
Molecular Weight 231.383 g/mol
SMILES c1c(c(c(cc1C)C)CN1CCCCCC1)C
SPLASH splash10-001i-4920000000-bb699bbbfd8cf4b9c9e8
Source of Spectrum CSC-12-SM13-7c
Wiley ID 1819581