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Methyl (2SR)-2-(2-Iodobenzyl)-3-[(1SR)-2-oxocyclohexyl]propanoate
SpectraBase Compound ID 7TgZsf3c9w8
InChI InChI=1S/C17H21IO3/c1-21-17(20)14(10-12-6-2-4-8-15(12)18)11-13-7-3-5-9-16(13)19/h2,4,6,8,13-14H,3,5,7,9-11H2,1H3/t13-,14+/m0/s1
InChIKey PWYUYVLYFAEANE-UONOGXRCSA-N
Mol Weight 400.26 g/mol
Molecular Formula C17H21IO3
Exact Mass 400.05354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 87USJc0AJo6
Name Methyl (2SR)-2-(2-Iodobenzyl)-3-[(1SR)-2-oxocyclohexyl]propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21IO3
InChI InChI=1S/C17H21IO3/c1-21-17(20)14(10-12-6-2-4-8-15(12)18)11-13-7-3-5-9-16(13)19/h2,4,6,8,13-14H,3,5,7,9-11H2,1H3/t13-,14+/m0/s1
InChIKey PWYUYVLYFAEANE-UONOGXRCSA-N
Literature Reference DOI 10.1021/ol901183h
Molecular Weight 400.256 g/mol
SMILES c1cc(C[C@@](C(=O)OC)(C[C@]2(C(CCCC2)=O)[H])[H])c(I)cc1
SPLASH splash10-00kf-2592100000-7a4dc6abee7a86b903c6
Source of Spectrum A1-11-3334/SM5-8a
Synonyms (S)-methyl 2-(2-iodobenzyl)-3-((S)-2-oxocyclohexyl)propanoate
Wiley ID 1757025