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endo Bornyl cinnamate cyclic hydrodimer
SpectraBase Compound ID 1RJ4HgBMb3M
InChI InChI=1S/C28H32O3/c1-27(2)20-14-15-28(27,3)23(16-20)31-26(30)25-22(29)17-21(18-10-6-4-7-11-18)24(25)19-12-8-5-9-13-19/h4-13,20-21,23-25H,14-17H2,1-3H3/t20-,21+,23-,24+,25+,28+/m0/s1
InChIKey OTXQQORHLMFAQJ-SJYLSLJGSA-N
Mol Weight 416.6 g/mol
Molecular Formula C28H32O3
Exact Mass 416.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51g8ZkNz2WS
Name endo Bornyl cinnamate cyclic hydrodimer
Alternate Name(s) 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl (1S,2R,3S)-5-oxo-2,3-diphenylcyclopentanecarboxylate
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Formula C28H32O3
InChI InChI=1S/C28H32O3/c1-27(2)20-14-15-28(27,3)23(16-20)31-26(30)25-22(29)17-21(18-10-6-4-7-11-18)24(25)19-12-8-5-9-13-19/h4-13,20-21,23-25H,14-17H2,1-3H3/t20-,21+,23-,24+,25+,28+/m0/s1
InChIKey OTXQQORHLMFAQJ-SJYLSLJGSA-N
Molecular Weight 416.561 g/mol
SMILES [C@@]1(C(O[C@@]2([C@@]3(C(C)(C)[C@](C2)(CC3)[H])C)[H])=O)([C@@]([C@@](c2ccccc2)(CC1=O)[H])(c1ccccc1)[H])[H]
SPLASH splash10-000i-4910000000-33382c1d158f5d60edbb
Source of Spectrum KC-0-1969-10
Wiley ID 784133