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Phosphoric acid, 4-(1,1-dimethylethyl)-1-cyclohexen-1-yl diphenyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Phosphoric acid, 4-(1,1-dimethylethyl)-1-cyclohexen-1-yl diphenyl ester
SpectraBase Compound ID D46Anx2kHlz
InChI InChI=1S/C22H27O4P/c1-22(2,3)18-14-16-21(17-15-18)26-27(23,24-19-10-6-4-7-11-19)25-20-12-8-5-9-13-20/h4-13,16,18H,14-15,17H2,1-3H3
InChIKey MIPICOMTYHMNMR-UHFFFAOYSA-N
Mol Weight 386.43 g/mol
Molecular Formula C22H27O4P
Exact Mass 386.164696 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KyyTtYkCPUM
Name Phosphoric acid, 4-(1,1-dimethylethyl)-1-cyclohexen-1-yl diphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.164696343 u
Formula C22H27O4P
InChI InChI=1S/C22H27O4P/c1-22(2,3)18-14-16-21(17-15-18)26-27(23,24-19-10-6-4-7-11-19)25-20-12-8-5-9-13-20/h4-13,16,18H,14-15,17H2,1-3H3
InChIKey MIPICOMTYHMNMR-UHFFFAOYSA-N
Molecular Weight 386.428 g/mol
SMILES C1(OP(OC=2C=CC=CC2)(OC2=CC=CC=C2)=O)=CCC(C(C)(C)C)CC1