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Bephenium hydroxynaphthoate in kbr

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

Bephenium hydroxynaphthoate in kbr
SpectraBase Compound ID CnJIPa3bZL2
InChI InChI=1S/C17H22NO.C11H8O3/c1-18(2,15-16-9-5-3-6-10-16)13-14-19-17-11-7-4-8-12-17;12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h3-12H,13-15H2,1-2H3;1-6,12H,(H,13,14)/q+1;/p-1
InChIKey PMPQCPQAHTXCDK-UHFFFAOYSA-M
Mol Weight 443.54 g/mol
Molecular Formula C28H29NO4
Exact Mass 443.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1kQWiMjYpSt
Name Bephenium hydroxynaphthoate in kbr
Comments Computed using HOSE algorithm
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Exact Mass 443.209658414 u
Formula C28H29NO4
InChI InChI=1S/C17H22NO.C11H8O3/c1-18(2,15-16-9-5-3-6-10-16)13-14-19-17-11-7-4-8-12-17;12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h3-12H,13-15H2,1-2H3;1-6,12H,(H,13,14)/q+1;/p-1
InChIKey PMPQCPQAHTXCDK-UHFFFAOYSA-M
Molecular Weight 443.543 g/mol
SMILES OC1=CC=2C=CC=CC2C=C1C(=O)[O-].C[N+](C)(CC1=CC=CC=C1)CCOC1=CC=CC=C1