For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-benzyl-3-[(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]urea
SpectraBase Compound ID JwNxCgeuOS7
InChI InChI=1S/C18H28N2O/c1-13(2)16-10-9-14(3)11-17(16)20-18(21)19-12-15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3,(H2,19,20,21)/t14-,16+,17+/m1/s1
InChIKey XWIJXKXJZYZDCX-PVAVHDDUSA-N
Mol Weight 288.43 g/mol
Molecular Formula C18H28N2O
Exact Mass 288.220164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IrWNncV3HgC
Name 1-benzyl-3-[(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]urea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28N2O
InChI InChI=1S/C18H28N2O/c1-13(2)16-10-9-14(3)11-17(16)20-18(21)19-12-15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3,(H2,19,20,21)/t14-,16+,17+/m1/s1
InChIKey XWIJXKXJZYZDCX-PVAVHDDUSA-N
Ionization Type EI
Molecular Weight 288.435 g/mol
SMILES N(Cc1ccccc1)C(=O)N[C@@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H]
SPLASH splash10-00dl-9420000000-3b829a4c466628911c1a
Source of Spectrum EP2135516B1
Wiley ID 1844982