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N-Octyl-2-methylbenzylamine

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

N-Octyl-2-methylbenzylamine
SpectraBase Compound ID HKEuklmQs7X
InChI InChI=1S/C16H27N/c1-3-4-5-6-7-10-13-17-14-16-12-9-8-11-15(16)2/h8-9,11-12,17H,3-7,10,13-14H2,1-2H3
InChIKey MLCPWKVYBAWRFC-UHFFFAOYSA-N
Mol Weight 233.4 g/mol
Molecular Formula C16H27N
Exact Mass 233.21435 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GSEE5Fp43q
Name N-Octyl-2-methylbenzylamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.214349873 u
Formula C16H27N
InChI InChI=1S/C16H27N/c1-3-4-5-6-7-10-13-17-14-16-12-9-8-11-15(16)2/h8-9,11-12,17H,3-7,10,13-14H2,1-2H3
InChIKey MLCPWKVYBAWRFC-UHFFFAOYSA-N
Molecular Weight 233.399 g/mol
SMILES C=1(C(=CC=CC1)C)CNCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97647