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N-Acetyl-4-(2-hydroxypropoxy)amphetamine

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

N-Acetyl-4-(2-hydroxypropoxy)amphetamine
SpectraBase Compound ID 4QdG44oQePj
InChI InChI=1S/C14H21NO3/c1-10(15-12(3)17)8-13-4-6-14(7-5-13)18-9-11(2)16/h4-7,10-11,16H,8-9H2,1-3H3,(H,15,17)
InChIKey PAUPKPOWPGCSII-UHFFFAOYSA-N
Mol Weight 251.33 g/mol
Molecular Formula C14H21NO3
Exact Mass 251.152144 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BiLD6tLj5Ze
Name N-Acetyl-4-(2-hydroxypropoxy)amphetamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.152143537 u
Formula C14H21NO3
InChI InChI=1S/C14H21NO3/c1-10(15-12(3)17)8-13-4-6-14(7-5-13)18-9-11(2)16/h4-7,10-11,16H,8-9H2,1-3H3,(H,15,17)
InChIKey PAUPKPOWPGCSII-UHFFFAOYSA-N
Molecular Weight 251.326 g/mol
SMILES C1=CC(=CC=C1OCC(C)O)CC(NC(C)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947241