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(S,Z)-1-(4-benzyl-2-thioxooxazolidin-3-yl)-5-iodopent-4-en-1-one
SpectraBase Compound ID 4HrTDxRxAVd
InChI InChI=1S/C15H16INO2S/c16-9-5-4-8-14(18)17-13(11-19-15(17)20)10-12-6-2-1-3-7-12/h1-3,5-7,9,13H,4,8,10-11H2/b9-5-/t13-/m0/s1
InChIKey LVUNNSSHJZKCKB-QGOGUYACSA-N
Mol Weight 401.26 g/mol
Molecular Formula C15H16INO2S
Exact Mass 400.994645 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Ocm2N9NmS
Name (S,Z)-1-(4-benzyl-2-thioxooxazolidin-3-yl)-5-iodopent-4-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16INO2S
InChI InChI=1S/C15H16INO2S/c16-9-5-4-8-14(18)17-13(11-19-15(17)20)10-12-6-2-1-3-7-12/h1-3,5-7,9,13H,4,8,10-11H2/b9-5-/t13-/m0/s1
InChIKey LVUNNSSHJZKCKB-QGOGUYACSA-N
Literature Reference DOI 10.1021/ol800137f
Molecular Weight 401.262 g/mol
SMILES [C@@]1(N(C(OC1)=S)C(=O)CC\C=C/I)(Cc1ccccc1)[H]
SPLASH splash10-0g4l-5960000000-ff84cda596feefcf82af
Source of Spectrum A1-10-1533/SMS4-7
Synonyms (Z)-5-iodo-1-[(4S)-4-(phenylmethyl)-2-sulfanylidene-3-oxazolidinyl]-4-penten-1-one (Z)-1-[(4S)-4-benzyl-2-sulfanylidene-1,3-oxazolidin-3-yl]-5-iodopent-4-en-1-one (Z)-5-iodanyl-1-[(4S)-4-(phenylmethyl)-2-sulfanylidene-1,3-oxazolidin-3-yl]pent-4-en-1-one
Wiley ID 1759269