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2-(Phenylthio)ethyl 4-(4-cyanophenoxy)butanoate
SpectraBase Compound ID 4D5zn9HGvvl
InChI InChI=1S/C19H19NO3S/c20-15-16-8-10-17(11-9-16)22-12-4-7-19(21)23-13-14-24-18-5-2-1-3-6-18/h1-3,5-6,8-11H,4,7,12-14H2
InChIKey FYFSAESUPGUHQF-UHFFFAOYSA-N
Mol Weight 341.43 g/mol
Molecular Formula C19H19NO3S
Exact Mass 341.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LXPYuqV2aGg
Name 2-(Phenylthio)ethyl 4-(4-cyanophenoxy)butanoate
Appearance Colorless oil
Carrier Gas Argon
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.108564647 u
Formula C19H19NO3S
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C19H19NO3S/c20-15-16-8-10-17(11-9-16)22-12-4-7-19(21)23-13-14-24-18-5-2-1-3-6-18/h1-3,5-6,8-11H,4,7,12-14H2
InChIKey FYFSAESUPGUHQF-UHFFFAOYSA-N
Instrument Name Agilent HP-7890A-AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/anie.202211939
Molecular Weight 341.425 g/mol
Quality 186
Reported Formula C19H19NO3S
SMILES C1(=CC=CC=C1)SCCOC(CCCOC1=CC=C(C=C1)C#N)=O
SPLASH splash10-000i-2910000000-bd63dbe4ee78334aa50b
Source of Spectrum ACI-61-SM27-19 (DOI: 10.1002/anie.202211939)
Wiley ID 1899533