John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=HsBxiJv1Wkk SpectraBase Spectrum ID=1JKEfnr0WR6

(accessed ).
(+)-BRASILENYNE;(2S,8S,9S)-8-CHLORO-2-ETHYL-9-[(2Z)-PENT-2-EN-4-YNYL]-1-OXA-3Z,5Z-CYCLONONADIENE
SpectraBase Compound ID HsBxiJv1Wkk
InChI InChI=1S/C15H19ClO/c1-3-5-7-12-15-14(16)11-9-6-8-10-13(4-2)17-15/h1,5-10,13-15H,4,11-12H2,2H3/b7-5+,9-6-,10-8-/t13-,14-,15-/m0/s1
InChIKey SMJVVUACAPVPDN-PIOZWJHYSA-N
Mol Weight 250.77 g/mol
Molecular Formula C15H19ClO
Exact Mass 250.112443 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1JKEfnr0WR6
Name (+)-BRASILENYNE;(2S,8S,9S)-8-CHLORO-2-ETHYL-9-[(2Z)-PENT-2-EN-4-YNYL]-1-OXA-3Z,5Z-CYCLONONADIENE
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H19ClO
InChI InChI=1S/C15H19ClO/c1-3-5-7-12-15-14(16)11-9-6-8-10-13(4-2)17-15/h1,5-10,13-15H,4,11-12H2,2H3/b7-5+,9-6-,10-8-/t13-,14-,15-/m0/s1
InChIKey SMJVVUACAPVPDN-PIOZWJHYSA-N
Literature Reference Author S.E.DENMARK,S.M.YANG
Literature Reference Citation J.AM.CHEM.SOC.,126,12432(2004)
Literature Reference DOI 10.1021/ja0466863
Molecular Weight 250.768 g/mol
Solvent CDCl3
Source File Reference UWVN31618
SpectraBase Batch ID 89Yy9IkYQos