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(4S)-endo-Bornyl-(2R)-2-(2-iodophenyl)propionate Ammonio salt
SpectraBase Compound ID 21AeHOKMtCp
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
Mol Weight 430.35 g/mol
Molecular Formula C19H29INO2
Exact Mass 430.124299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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