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N-[(1S)-1-Hydroxymethyl-2-methylpropyl]-2-aminobenzamide

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

N-[(1S)-1-Hydroxymethyl-2-methylpropyl]-2-aminobenzamide
SpectraBase Compound ID DYCaaPlehQ9
InChI InChI=1S/C12H18N2O2/c1-8(2)11(7-15)14-12(16)9-5-3-4-6-10(9)13/h3-6,8,11,15H,7,13H2,1-2H3,(H,14,16)/t11-/m1/s1
InChIKey TYZDEZAPPYSEOT-LLVKDONJSA-N
Mol Weight 222.29 g/mol
Molecular Formula C12H18N2O2
Exact Mass 222.136828 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KAFhvJvC1VJ
Name N-[(1S)-1-Hydroxymethyl-2-methylpropyl]-2-aminobenzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.136827826 u
Formula C12H18N2O2
InChI InChI=1S/C12H18N2O2/c1-8(2)11(7-15)14-12(16)9-5-3-4-6-10(9)13/h3-6,8,11,15H,7,13H2,1-2H3,(H,14,16)/t11-/m1/s1
InChIKey TYZDEZAPPYSEOT-LLVKDONJSA-N
Molecular Weight 222.288 g/mol
SMILES C(C=1C(N)=CC=CC1)(N[C@@](C(C)C)(CO)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.854783