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Benzene, [(5-iodo-2,4-dimethyl-4-pentenyl)thio]-, [R-(E)]-
SpectraBase Compound ID 58D03DixRnF
InChI InChI=1S/C13H17IS/c1-11(9-14)8-12(2)10-15-13-6-4-3-5-7-13/h3-7,9,12H,8,10H2,1-2H3/b11-9+/t12-/m1/s1
InChIKey DDYNLNNVSVVEJK-LMMOQWNQSA-N
Mol Weight 332.24 g/mol
Molecular Formula C13H17IS
Exact Mass 332.009567 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JYm4EXndZD
Name Benzene, [(5-iodo-2,4-dimethyl-4-pentenyl)thio]-, [R-(E)]-
Alternate Name(s) (2R,4E)-5-iodo-2,4-dimethyl-4-pentenyl phenyl sulfide (4R)-(+)-2,4-dimethyl-1-iodo-5-phenylthiopent-1-ene {[(2R,4E)-5-iodo-2,4-dimethyl-4-pentenyl]sulfanyl}benzene
CAS Registry Number 101212-38-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17IS
InChI InChI=1S/C13H17IS/c1-11(9-14)8-12(2)10-15-13-6-4-3-5-7-13/h3-7,9,12H,8,10H2,1-2H3/b11-9+/t12-/m1/s1
InChIKey DDYNLNNVSVVEJK-LMMOQWNQSA-N
Molecular Weight 332.243 g/mol
SMILES C(\C(=C\I)C)[C@](CSc1ccccc1)(C)[H]
SPLASH splash10-0a4i-5690000000-0be3b26a8c951c3966a2
Source of Spectrum KC-1987-1629-3
Wiley ID 1329024