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Benzenemethanamine, .alpha.-2,5,7-octatrienyl-N-propyl-

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Benzenemethanamine, .alpha.-2,5,7-octatrienyl-N-propyl-
SpectraBase Compound ID DQXKrQryiy8
InChI InChI=1S/C18H25N/c1-3-5-6-7-8-12-15-18(19-16-4-2)17-13-10-9-11-14-17/h3,5-6,8-14,18-19H,1,4,7,15-16H2,2H3/b6-5+,12-8+
InChIKey OFNOEPCYYDGJFC-DOQHAEMYSA-N
Mol Weight 255.4 g/mol
Molecular Formula C18H25N
Exact Mass 255.1987 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9Zp9yKkKXNA
Name Benzenemethanamine, .alpha.-2,5,7-octatrienyl-N-propyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 255.198699809 u
Formula C18H25N
InChI InChI=1S/C18H25N/c1-3-5-6-7-8-12-15-18(19-16-4-2)17-13-10-9-11-14-17/h3,5-6,8-14,18-19H,1,4,7,15-16H2,2H3/b6-5+,12-8+
InChIKey OFNOEPCYYDGJFC-DOQHAEMYSA-N
Molecular Weight 255.405 g/mol
SMILES C(C(NCCC)C1=CC=CC=C1)\C=C\C\C=C\C=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.839229