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N-(1-Adamantyl)-N'-(5-tropolonyl)urea
SpectraBase Compound ID Kei3EnCCrir
InChI InChI=1S/C18H22N2O3/c21-15-3-1-14(2-4-16(15)22)19-17(23)20-18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H,21,22)(H2,19,20,23)/t11-,12+,13-,18-
InChIKey XOFCXZIARGFOBX-MCXHQAMOSA-N
Mol Weight 314.38 g/mol
Molecular Formula C18H22N2O3
Exact Mass 314.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1OTr3jrIvN4
Name N-(1-Adamantyl)-N'-(5-tropolonyl)urea
Alternate Name(s) 1-(1-adamantyl)-3-(4-hydroxy-5-oxo-1-cyclohepta-1,3,6-trienyl)urea 1-(1-adamantyl)-3-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)urea 1-(1-adamantyl)-3-(4-hydroxy-5-oxo-cyclohepta-1,3,6-trien-1-yl)urea 1-(1-adamantyl)-3-(4-oxidanyl-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl)urea
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Formula C18H22N2O3
InChI InChI=1S/C18H22N2O3/c21-15-3-1-14(2-4-16(15)22)19-17(23)20-18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H,21,22)(H2,19,20,23)/t11-,12+,13-,18-
InChIKey XOFCXZIARGFOBX-MCXHQAMOSA-N
Molecular Weight 314.385 g/mol
SMILES N(C(NC1=CC=C(C(C=C1)=O)O)=O)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]
SPLASH splash10-0006-9600000000-a442c0a04ade3aabcac4
Source of Spectrum E1-58-84-a
Wiley ID 1661751