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o-Hydroxyhydrocinnamic acid, p-tert-butylbenzoate (ester)
SpectraBase Compound ID 6MgJYp5dRLL
InChI InChI=1S/C20H22O4/c1-20(2,3)16-11-8-15(9-12-16)19(23)24-17-7-5-4-6-14(17)10-13-18(21)22/h4-9,11-12H,10,13H2,1-3H3,(H,21,22)
InChIKey LKKIKBIQZUMHCU-UHFFFAOYSA-N
Mol Weight 326.39 g/mol
Molecular Formula C20H22O4
Exact Mass 326.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JMhlHeEAufR
Name o-Hydroxyhydrocinnamic acid, p-tert-butylbenzoate (ester)
Comments Computed using HOSE algorithm
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Exact Mass 326.151809184 u
Formula C20H22O4
InChI InChI=1S/C20H22O4/c1-20(2,3)16-11-8-15(9-12-16)19(23)24-17-7-5-4-6-14(17)10-13-18(21)22/h4-9,11-12H,10,13H2,1-3H3,(H,21,22)
InChIKey LKKIKBIQZUMHCU-UHFFFAOYSA-N
Molecular Weight 326.392 g/mol
SMILES OC(CCC=1C(=CC=CC1)OC(C=1C=CC(=CC1)C(C)(C)C)=O)=O