SpectraBase Spectrum ID |
64VGCD9XOKx |
Name |
(4S)-endo-Bornyl-(2R)-2-(2-iodophenyl)propionate Ammonio salt |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C19H29INO2 |
InChI |
InChI=1S/C19H25IO2.H3N/c1-12(14-7-5-6-8-15(14)20)17(21)22-16-11-13-9-10-19(16,4)18(13,2)3;/h5-8,12-13,16H,9-11H2,1-4H3;1H3/p+1/t12-,13-,16+,19+;/m0./s1 |
InChIKey |
TXHXWBPFPFMTSA-IHYMFEHSSA-O |
Molecular Weight |
430.350 g/mol |
SMILES |
[NH4+].[C@@]12(C([C@@](CC2)(C[C@]1(OC([C@](c1c(I)cccc1)(C)[H])=O)[H])[H])(C)C)C |
SPLASH |
splash10-0f79-0907300000-ac6ba83757c68cc4723c |
Source of Spectrum |
U1-2008-5323-28 |
Wiley ID |
1662181 |