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(+-)-[2-.alpha.(Z),3a-.beta.,7a-.alpha.]- and [2-.alpha.(Z),3a-.alpha.,7a-.beta.]-Methyl .beta.-(2-bromoethylidene)octahydro-7a-methyl-2-benzo[b]furanethanoate
SpectraBase Compound ID 5dqPU35ldbd
InChI InChI=1S/C14H21BrO3/c1-14-7-4-3-5-10(14)9-12(18-14)11(6-8-15)13(16)17-2/h6,10,12H,3-5,7-9H2,1-2H3/b11-6-/t10-,12-,14+/m1/s1
InChIKey UVZNMAQYBLQYDE-LJSAUVTESA-N
Mol Weight 317.22 g/mol
Molecular Formula C14H21BrO3
Exact Mass 316.067408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJ1VOSvMrcD
Name (+-)-[2-.alpha.(Z),3a-.beta.,7a-.alpha.]- and [2-.alpha.(Z),3a-.alpha.,7a-.beta.]-Methyl .beta.-(2-bromoethylidene)octahydro-7a-methyl-2-benzo[b]furanethanoate
CAS Registry Number 76215-56-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21BrO3
InChI InChI=1S/C14H21BrO3/c1-14-7-4-3-5-10(14)9-12(18-14)11(6-8-15)13(16)17-2/h6,10,12H,3-5,7-9H2,1-2H3/b11-6-/t10-,12-,14+/m1/s1
InChIKey UVZNMAQYBLQYDE-LJSAUVTESA-N
Molecular Weight 317.223 g/mol
SMILES [C@@]1(\C(C(=O)OC)=C\CBr)(O[C@@]2(C)CCCC[C@@]2(C1)[H])[H]
SPLASH splash10-000t-9300000000-fe60e41719318e74af8b
Source of Spectrum J-46-1202-0
Synonyms Methyl (2Z)-2-[(2R,3aR,7aS)-7a-methyloctahydro-1-benzofuran-2-yl]-4-bromo-2-butenoate
Wiley ID 1316469