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2-(Phenylthio)ethyl nonanoate

View entire compound with spectra: 1 MS (GC)

2-(Phenylthio)ethyl nonanoate
SpectraBase Compound ID 9wkA16IRHln
InChI InChI=1S/C17H26O2S/c1-2-3-4-5-6-10-13-17(18)19-14-15-20-16-11-8-7-9-12-16/h7-9,11-12H,2-6,10,13-15H2,1H3
InChIKey AROTWKMYZDUHEV-UHFFFAOYSA-N
Mol Weight 294.45 g/mol
Molecular Formula C17H26O2S
Exact Mass 294.165351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CtBHGkxR0TS
Name 2-(Phenylthio)ethyl nonanoate
Appearance Light-yellow oil
Carrier Gas Argon
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.165351249 u
Formula C17H26O2S
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C17H26O2S/c1-2-3-4-5-6-10-13-17(18)19-14-15-20-16-11-8-7-9-12-16/h7-9,11-12H,2-6,10,13-15H2,1H3
InChIKey AROTWKMYZDUHEV-UHFFFAOYSA-N
Instrument Name Agilent HP-7890A-AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/anie.202211939
Molecular Weight 294.453 g/mol
Quality 175
Reported Formula C17H26O2S
SMILES C1(=CC=CC=C1)SCCOC(CCCCCCCC)=O
SPLASH splash10-000i-2900000000-1e7f1d2306852844011a
Source of Spectrum ACI-61-SM21-5 (DOI: 10.1002/anie.202211939)
Wiley ID 1899574