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N,N-diacetylnorpseudoephedrine

View entire compound with spectra: 1 FTIR

N,N-diacetylnorpseudoephedrine
SpectraBase Compound ID I5Jfsiz8Ukl
InChI InChI=1S/C13H17NO3/c1-9(14(10(2)15)11(3)16)13(17)12-7-5-4-6-8-12/h4-9,13,17H,1-3H3/t9-,13+/m0/s1
InChIKey VJTRUVDRAQEXHL-TVQRCGJNSA-N
Mol Weight 235.28 g/mol
Molecular Formula C13H17NO3
Exact Mass 235.120843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID A7bAZDAH0Ej
Name N,N-Diacetylnorpseudoephedrine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 235.120843408 u
Formula C13H17NO3
InChI InChI=1S/C13H17NO3/c1-9(14(10(2)15)11(3)16)13(17)12-7-5-4-6-8-12/h4-9,13,17H,1-3H3/t9-,13+/m0/s1
InChIKey VJTRUVDRAQEXHL-TVQRCGJNSA-N
Molecular Weight 235.283 g/mol
SMILES O[C@@](C=1C=CC=CC1)([C@](C)(N(C(C)=O)C(C)=O)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938257