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(R)-S-4-iodophenyl 4-(benzo[d][1,3]dioxol-5-yl)-4-cyano-5-oxohexanethioate

View entire compound with spectra: 1 MS (GC)

(R)-S-4-iodophenyl 4-(benzo[d][1,3]dioxol-5-yl)-4-cyano-5-oxohexanethioate
SpectraBase Compound ID A8F23hVLBnw
InChI InChI=1S/C20H16INO4S/c1-13(23)20(11-22,14-2-7-17-18(10-14)26-12-25-17)9-8-19(24)27-16-5-3-15(21)4-6-16/h2-7,10H,8-9,12H2,1H3/t20-/m1/s1
InChIKey ACBYINMIOGIZMG-HXUWFJFHSA-N
Mol Weight 493.32 g/mol
Molecular Formula C20H16INO4S
Exact Mass 492.984474 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BHyLpl2quhS
Name (R)-S-4-iodophenyl 4-(benzo[d][1,3]dioxol-5-yl)-4-cyano-5-oxohexanethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16INO4S
InChI InChI=1S/C20H16INO4S/c1-13(23)20(11-22,14-2-7-17-18(10-14)26-12-25-17)9-8-19(24)27-16-5-3-15(21)4-6-16/h2-7,10H,8-9,12H2,1H3/t20-/m1/s1
InChIKey ACBYINMIOGIZMG-HXUWFJFHSA-N
Literature Reference DOI 10.1002/asia.201300595
Molecular Weight 493.315 g/mol
SMILES c1(SC(CC[C@@](C(=O)C)(c2cc3c(OCO3)cc2)C#N)=O)ccc(cc1)I
SPLASH splash10-0aor-9540000000-666d7a2145894c7cef51
Source of Spectrum CAJ-8-1966/SM15-3f
Synonyms S-(4-iodophenyl) 4-(benzo[d][1,3]dioxol-5-yl)-4-cyano-5-oxohexanethioate
Wiley ID 1772064