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Bicyclo[2.2.1]heptane-2-carboxylic acid, 3-methylene-, 3-(2,2-dimethylpropoxy)-4,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, [1S-[1.alpha.,2.alpha.(1R*,2R*,4S*),3.alpha.,4.alpha.]]-
SpectraBase Compound ID 29sQcic9k5a
InChI InChI=1S/C24H38O3/c1-14-15-8-9-16(12-15)18(14)21(25)27-19-17-10-11-24(7,23(17,5)6)20(19)26-13-22(2,3)4/h15-20H,1,8-13H2,2-7H3/t15-,16+,17+,18?,19+,20-,24?/m1/s1
InChIKey ABCORRZIAQBEDQ-LYISNNFBSA-N
Mol Weight 374.6 g/mol
Molecular Formula C24H38O3
Exact Mass 374.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KKhPw9ZM4yE
Name Bicyclo[2.2.1]heptane-2-carboxylic acid, 3-methylene-, 3-(2,2-dimethylpropoxy)-4,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, [1S-[1.alpha.,2.alpha.(1R*,2R*,4S*),3.alpha.,4.alpha.]]-
CAS Registry Number 88941-08-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H38O3
InChI InChI=1S/C24H38O3/c1-14-15-8-9-16(12-15)18(14)21(25)27-19-17-10-11-24(7,23(17,5)6)20(19)26-13-22(2,3)4/h15-20H,1,8-13H2,2-7H3/t15-,16+,17+,18?,19+,20-,24?/m1/s1
InChIKey ABCORRZIAQBEDQ-LYISNNFBSA-N
Molecular Weight 374.565 g/mol
SMILES [C@]12(C([C@]([H])(CC2)C([C@]1(OCC(C)(C)C)[H])OC(C1C([C@]2(C[C@@]1(CC2)[H])[H])=C)=O)(C)C)C
SPLASH splash10-05g0-1910000000-6b14e97788c39eeac3c4
Source of Spectrum H-68-2113-48
Synonyms (1R,2S,3S)-4,7,7-trimethyl-3-(neopentyloxy)bicyclo[2.2.1]hept-2-yl 3-methylenebicyclo[2.2.1]heptane-2-carboxylate (1S,2R,3S)-3-(2,2-Dimethylpropoxy)-4,7,7-trimethylbicyclo[2.2.1]hept-2-yl (1R,2S)-3-methylidenebicyclo[2.2.1]heptane-2-carboxylate
Wiley ID 1356944