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3,3-Dimethyl-2-(phenylselenyl)butanoic acid, 2-[(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl] ester
SpectraBase Compound ID KGkTBYMOvaa
InChI InChI=1S/C23H32O2Se/c1-22(2,3)20(26-18-9-7-6-8-10-18)21(24)25-14-13-16-11-12-17-15-19(16)23(17,4)5/h6-11,17,19-20H,12-15H2,1-5H3/t17-,19-,20?/m1/s1
InChIKey VWJGXYMKUMYNPB-RIBPFEIKSA-N
Mol Weight 419.5 g/mol
Molecular Formula C23H32O2Se
Exact Mass 420.156752 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 99zbnUyB7Pn
Name 3,3-Dimethyl-2-(phenylselenyl)butanoic acid, 2-[(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl] ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O2Se
InChI InChI=1S/C23H32O2Se/c1-22(2,3)20(26-18-9-7-6-8-10-18)21(24)25-14-13-16-11-12-17-15-19(16)23(17,4)5/h6-11,17,19-20H,12-15H2,1-5H3/t17-,19-,20?/m1/s1
InChIKey VWJGXYMKUMYNPB-RIBPFEIKSA-N
Molecular Weight 419.479 g/mol
SMILES c1(ccccc1)[Se]C(C(C)(C)C)C(=O)OCCC=1[C@@]2(C(C)(C)[C@@](C2)(CC1)[H])[H]
SPLASH splash10-0a4m-9810000000-84b86369835658c1740d
Synonyms 2-(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)ethyl 3,3-dimethyl-2-phenylselanyl-butanoate 2-(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl 3,3-dimethyl-2-(phenylselanyl)butanoate 3,3-Dimethyl-2-(phenylseleno)butanoic acid 2-(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)ethyl ester 3,3-Dimethyl-2-(phenylseleno)butyric acid 2-(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)ethyl ester
Wiley ID 1474387