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B-Methyl-4-tert-butyl-benzenepropanamine

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

B-Methyl-4-tert-butyl-benzenepropanamine
SpectraBase Compound ID 82OvclxfKt3
InChI InChI=1S/C14H23N/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,11H,9-10,15H2,1-4H3
InChIKey JAFGIBGBEFSNOV-UHFFFAOYSA-N
Mol Weight 205.34 g/mol
Molecular Formula C14H23N
Exact Mass 205.18305 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID EuVK8iawuvH
Name beta-Methyl-4-tert-butyl-benzenepropanamine; benzenepropanamine, 4-(1,1-dimethylethyl)-beta-methyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 205.183049745 u
Formula C14H23N
InChI InChI=1S/C14H23N/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,11H,9-10,15H2,1-4H3
InChIKey JAFGIBGBEFSNOV-UHFFFAOYSA-N
Molecular Weight 205.345 g/mol
SMILES NCC(CC1=CC=C(C=C1)C(C)(C)C)C
Spectrum/Structure Validation Score (Raman) 0.978503