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(2S)-2-Amino-2-(3,4-dimethoxyphenyl)-1-phenylethanone

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

(2S)-2-Amino-2-(3,4-dimethoxyphenyl)-1-phenylethanone
SpectraBase Compound ID HzHLi3LtQDo
InChI InChI=1S/C16H17NO3/c1-19-13-9-8-12(10-14(13)20-2)15(17)16(18)11-6-4-3-5-7-11/h3-10,15H,17H2,1-2H3/t15-/m0/s1
InChIKey JBLLMLDFRNPCHG-HNNXBMFYSA-N
Mol Weight 271.32 g/mol
Molecular Formula C16H17NO3
Exact Mass 271.120843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4e1F1s5N1qQ
Name (2S)-2-Amino-2-(3,4-dimethoxyphenyl)-1-phenylethanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 271.120843408 u
Formula C16H17NO3
InChI InChI=1S/C16H17NO3/c1-19-13-9-8-12(10-14(13)20-2)15(17)16(18)11-6-4-3-5-7-11/h3-10,15H,17H2,1-2H3/t15-/m0/s1
InChIKey JBLLMLDFRNPCHG-HNNXBMFYSA-N
SMILES C([C@](C=1C=C(OC)C(=CC1)OC)(N)[H])(=O)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971896