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3-(1-Adamantyl)-1,1-dimethylurea

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

3-(1-Adamantyl)-1,1-dimethylurea
SpectraBase Compound ID BYeYPQzq2b5
InChI InChI=1S/C13H22N2O/c1-15(2)12(16)14-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,3-8H2,1-2H3,(H,14,16)/t9-,10+,11-,13-
InChIKey HPPZYQZGRIYOKL-DNSLJTBWSA-N
Mol Weight 222.33 g/mol
Molecular Formula C13H22N2O
Exact Mass 222.173213 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID AwdbkrBu90K
Name 3-(1-Adamantyl)-1,1-dimethylurea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.173213335 u
Formula C13H22N2O
InChI InChI=1S/C13H22N2O/c1-15(2)12(16)14-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,3-8H2,1-2H3,(H,14,16)/t9-,10+,11-,13-
InChIKey HPPZYQZGRIYOKL-DNSLJTBWSA-N
Molecular Weight 222.332 g/mol
SMILES N(C(N(C)C)=O)C12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H]
Spectrum/Structure Validation Score (Raman) 0.871038