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(1R/S,2'S)-endo-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 2-(bicyclo[3.1.0]hex-1-yl)propenoate
SpectraBase Compound ID HOjZisiqt7g
InChI InChI=1S/C25H36O6/c1-7-29-20(27)25(21(28)30-8-2)13-17-12-24(17,14-25)15(3)19(26)31-18-11-16-9-10-23(18,6)22(16,4)5/h16-18H,3,7-14H2,1-2,4-6H3/t16-,17?,18+,23+,24?/m0/s1
InChIKey SKBBXTAJHRVRQB-SMYUQMMGSA-N
Mol Weight 432.6 g/mol
Molecular Formula C25H36O6
Exact Mass 432.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Rpjv8ziB3W
Name (1R/S,2'S)-endo-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 2-(bicyclo[3.1.0]hex-1-yl)propenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H36O6
InChI InChI=1S/C25H36O6/c1-7-29-20(27)25(21(28)30-8-2)13-17-12-24(17,14-25)15(3)19(26)31-18-11-16-9-10-23(18,6)22(16,4)5/h16-18H,3,7-14H2,1-2,4-6H3/t16-,17?,18+,23+,24?/m0/s1
InChIKey SKBBXTAJHRVRQB-SMYUQMMGSA-N
Literature Reference DOI 10.1002/adsc.200606155
Molecular Weight 432.557 g/mol
SMILES CC1([C@]2([C@](OC(C(C34CC(C(OCC)=O)(C(OCC)=O)CC4C3)=C)=O)(C[C@@]1(CC2)[H])[H])C)C
SPLASH splash10-001r-9300000000-a2f95bee77407ddf91de
Source of Spectrum ASC-348-2133/SM16-17a
Synonyms Diethyl 1-(3-oxo-3-(((1S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy)prop-1-en-2-yl)bicyclo[3.1.0]hexane-3,3-dicarboxylate
Wiley ID 1765011