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Isochroman, 1-[methyl(2-phenylethyl)aminomethyl]-

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

Isochroman, 1-[methyl(2-phenylethyl)aminomethyl]-
SpectraBase Compound ID DHIMxR681UB
InChI InChI=1S/C19H23NO/c1-20(13-11-16-7-3-2-4-8-16)15-19-18-10-6-5-9-17(18)12-14-21-19/h2-10,19H,11-15H2,1H3
InChIKey GUNNDOSBTPREEH-UHFFFAOYSA-N
Mol Weight 281.4 g/mol
Molecular Formula C19H23NO
Exact Mass 281.177964 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D7Ps0ELZUd5
Name Isochroman, 1-[methyl(2-phenylethyl)aminomethyl]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 281.177964364 u
Formula C19H23NO
InChI InChI=1S/C19H23NO/c1-20(13-11-16-7-3-2-4-8-16)15-19-18-10-6-5-9-17(18)12-14-21-19/h2-10,19H,11-15H2,1H3
InChIKey GUNNDOSBTPREEH-UHFFFAOYSA-N
SMILES C1(C2=C(C=CC=C2)CCO1)CN(CCC1=CC=CC=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.844495