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1-(hexahydro-2-oxo-1H-azepin-3-yl)-3-isopropylurea

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

1-(hexahydro-2-oxo-1H-azepin-3-yl)-3-isopropylurea
SpectraBase Compound ID BaAfX7QvpDI
InChI InChI=1S/C10H19N3O2/c1-7(2)12-10(15)13-8-5-3-4-6-11-9(8)14/h7-8H,3-6H2,1-2H3,(H,11,14)(H2,12,13,15)
InChIKey YTXABQBUMCXSCH-UHFFFAOYSA-N
Mol Weight 213.28 g/mol
Molecular Formula C10H19N3O2
Exact Mass 213.147727 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 95F26bkx3yQ
Name 1-(Hexahydro-2-oxo-1H-azepin-3-yl)-3-isopropylurea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 213.147726862 u
Formula C10H19N3O2
InChI InChI=1S/C10H19N3O2/c1-7(2)12-10(15)13-8-5-3-4-6-11-9(8)14/h7-8H,3-6H2,1-2H3,(H,11,14)(H2,12,13,15)
InChIKey YTXABQBUMCXSCH-UHFFFAOYSA-N
Molecular Weight 213.281 g/mol
SMILES N(C(C)C)C(NC1C(NCCCC1)=O)=O
Spectrum/Structure Validation Score (Raman) 0.983389