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(N,N'-dicyclohexylcarbamimidoyl) 6-bromanyl-2-oxidanylidene-chromene-3-carboxylate
SpectraBase Compound ID 5egnhyEKYHp
InChI InChI=1S/C23H27BrN2O4/c24-16-11-12-20-15(13-16)14-19(21(27)29-20)22(28)30-23(25-17-7-3-1-4-8-17)26-18-9-5-2-6-10-18/h11-14,17-18H,1-10H2,(H,25,26)
InChIKey QGWBCKLHLCQQQP-UHFFFAOYSA-N
Mol Weight 475.38 g/mol
Molecular Formula C23H27BrN2O4
Exact Mass 474.11542 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 80DkSmbwqwo
Name (N,N'-Dicyclohexylcarbamimidoyl) 6-bromanyl-2-oxidanylidene-chromene-3-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 474.115420353 u
Formula C23H27BrN2O4
InChI InChI=1S/C23H27BrN2O4/c24-16-11-12-20-15(13-16)14-19(21(27)29-20)22(28)30-23(25-17-7-3-1-4-8-17)26-18-9-5-2-6-10-18/h11-14,17-18H,1-10H2,(H,25,26)
InChIKey QGWBCKLHLCQQQP-UHFFFAOYSA-N
Molecular Weight 475.383 g/mol
SMILES C=1(C(OC2=C(C1)C=C(C=C2)Br)=O)C(O\C(=N\C1CCCCC1)NC1CCCCC1)=O