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Bicyclo[2.2.1]hepta-2,5-diene-2-carboxylic acid, 3-(2,2-diphenylethenyl)-, methyl ester
SpectraBase Compound ID 6AMgfQRupkK
InChI InChI=1S/C23H20O2/c1-25-23(24)22-19-13-12-18(14-19)21(22)15-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,15,18-19H,14H2,1H3/t18-,19+/m0/s1
InChIKey QARGIUSLHUFOJE-RBUKOAKNSA-N
Mol Weight 328.41 g/mol
Molecular Formula C23H20O2
Exact Mass 328.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LaPiCdj9XMf
Name Bicyclo[2.2.1]hepta-2,5-diene-2-carboxylic acid, 3-(2,2-diphenylethenyl)-, methyl ester
Alternate Name(s) Methyl 3-(2',2'-diphenylethenyl)bicyclo[2.2.1]hepta-2,5-diene-2-carboxylate methyl 3-(2,2-diphenylvinyl)bicyclo[2.2.1]hepta-2,5-diene-2-carboxylate
CAS Registry Number 115349-58-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20O2
InChI InChI=1S/C23H20O2/c1-25-23(24)22-19-13-12-18(14-19)21(22)15-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,15,18-19H,14H2,1H3/t18-,19+/m0/s1
InChIKey QARGIUSLHUFOJE-RBUKOAKNSA-N
Molecular Weight 328.411 g/mol
SMILES C1(=C([C@]2(C[C@@]1(C=C2)[H])[H])C(=O)OC)C=C(c1ccccc1)c1ccccc1
SPLASH splash10-03di-0092000000-78d728364f345c44342d
Source of Spectrum B-40-1685-13
Wiley ID 1326830