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Benzeneethanamine, .beta.-hydroxy-.alpha.-methyl-N-octadecyl-

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

Benzeneethanamine, .beta.-hydroxy-.alpha.-methyl-N-octadecyl-
SpectraBase Compound ID 2Nw3XA9sbDd
InChI InChI=1S/C27H49NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-28-25(2)27(29)26-22-19-18-20-23-26/h18-20,22-23,25,27-29H,3-17,21,24H2,1-2H3
InChIKey LMMWCCUOYNWAQW-UHFFFAOYSA-N
Mol Weight 403.7 g/mol
Molecular Formula C27H49NO
Exact Mass 403.381415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EsNoKG7NxYu
Name Benzeneethanamine, .beta.-hydroxy-.alpha.-methyl-N-octadecyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 403.381415201 u
Formula C27H49NO
InChI InChI=1S/C27H49NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-28-25(2)27(29)26-22-19-18-20-23-26/h18-20,22-23,25,27-29H,3-17,21,24H2,1-2H3
InChIKey LMMWCCUOYNWAQW-UHFFFAOYSA-N
Molecular Weight 403.695 g/mol
SMILES C1=CC(C(C(C)NCCCCCCCCCCCCCCCCCC)O)=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.840976