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2-(Phenylthio)ethyl 7-(4-iodophenoxy)heptanoate
SpectraBase Compound ID IS139HVLoXy
InChI InChI=1S/C21H25IO3S/c22-18-11-13-19(14-12-18)24-15-7-2-1-6-10-21(23)25-16-17-26-20-8-4-3-5-9-20/h3-5,8-9,11-14H,1-2,6-7,10,15-17H2
InChIKey GDINQUGRFOYJHM-UHFFFAOYSA-N
Mol Weight 484.39 g/mol
Molecular Formula C21H25IO3S
Exact Mass 484.056911 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JvSYN68aYRv
Name 2-(Phenylthio)ethyl 7-(4-iodophenoxy)heptanoate
Appearance Colorless solid
Carrier Gas Argon
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25IO3S
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C21H25IO3S/c22-18-11-13-19(14-12-18)24-15-7-2-1-6-10-21(23)25-16-17-26-20-8-4-3-5-9-20/h3-5,8-9,11-14H,1-2,6-7,10,15-17H2
InChIKey GDINQUGRFOYJHM-UHFFFAOYSA-N
Instrument Name Agilent HP-7890A-AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/anie.202211939
Molecular Weight 484.392 g/mol
Quality 161
Reported Formula C21H25IO3S
SMILES C1(=CC=CC=C1)SCCOC(CCCCCCOC1=CC=C(C=C1)I)=O
SPLASH splash10-000i-1933000000-90df68ce33c895b684fa
Source of Spectrum ACI-61-SM54-84 (DOI: 10.1002/anie.202211939)
Wiley ID 1899588