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cis-(+-)-1-Adamantyl 2-(2-oxo-2-phenylethyl)-3-phenylcyclopropane-1-carboxylate

View entire compound with spectra: 2 MS (GC)

cis-(+-)-1-Adamantyl 2-(2-oxo-2-phenylethyl)-3-phenylcyclopropane-1-carboxylate
SpectraBase Compound ID 7SRaSdamA7Y
InChI InChI=1S/C28H30O3/c29-24(21-7-3-1-4-8-21)14-23-25(22-9-5-2-6-10-22)26(23)27(30)31-28-15-18-11-19(16-28)13-20(12-18)17-28/h1-10,18-20,23,25-26H,11-17H2/t18-,19+,20-,23?,25?,26?,28-
InChIKey ZPBJVTIRIIPFCY-WZLAEWRMSA-N
Mol Weight 414.55 g/mol
Molecular Formula C28H30O3
Exact Mass 414.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8itD8V3spW
Name cis-(+-)-1-Adamantyl 2-(2-oxo-2-phenylethyl)-3-phenylcyclopropane-1-carboxylate
Alternate Name(s) trans-(+-)-1-Adamantyl 2-(2-oxo-2-phenylethyl)-3-phenylcyclopropane-1-carboxylate 1-adamantyl 2-(2-oxo-2-phenylethyl)-3-phenylcyclopropanecarboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30O3
InChI InChI=1S/C28H30O3/c29-24(21-7-3-1-4-8-21)14-23-25(22-9-5-2-6-10-22)26(23)27(30)31-28-15-18-11-19(16-28)13-20(12-18)17-28/h1-10,18-20,23,25-26H,11-17H2/t18-,19+,20-,23?,25?,26?,28-
InChIKey ZPBJVTIRIIPFCY-WZLAEWRMSA-N
Molecular Weight 414.545 g/mol
SMILES C1(C(C1c1ccccc1)CC(=O)c1ccccc1)C(=O)OC12C[C@]3(C[C@@](C2)(C[C@](C3)(C1)[H])[H])[H]
SPLASH splash10-000i-0900100000-86f9b063db03beb1e264
Source of Spectrum J-66-7964-7
Wiley ID 1568569