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13-(2-Acetoxyphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carboxylic acid

View entire compound with spectra: 1 NMR

13-(2-Acetoxyphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carboxylic acid
SpectraBase Compound ID JfiJ0AwVf5Q
InChI InChI=1S/C25H22O4/c1-16(26)29-24-5-3-2-4-21(24)22-14-17-6-7-18-9-11-20(23(15-18)25(27)28)13-12-19(22)10-8-17/h2-5,8-11,14-15H,6-7,12-13H2,1H3,(H,27,28)
InChIKey BQGHCZFMMZMSLX-UHFFFAOYSA-N
Mol Weight 386.45 g/mol
Molecular Formula C25H22O4
Exact Mass 386.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I0qVD44R2Zf
Name 13-(2-Acetoxyphenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carboxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.151809184 u
Formula C25H22O4
InChI InChI=1S/C25H22O4/c1-16(26)29-24-5-3-2-4-21(24)22-14-17-6-7-18-9-11-20(23(15-18)25(27)28)13-12-19(22)10-8-17/h2-5,8-11,14-15H,6-7,12-13H2,1H3,(H,27,28)
InChIKey BQGHCZFMMZMSLX-UHFFFAOYSA-N
Molecular Weight 386.447 g/mol
SMILES C1=CC2=CC(=C1CCC=1C=CC(CC2)=CC1C1=C(C=CC=C1)OC(C)=O)C(O)=O