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2-(Phenylthio)ethyl 4-(tert-butyl)cyclohexane-1-carboxylate
SpectraBase Compound ID 66Kaguvuxo0
InChI InChI=1S/C19H28O2S/c1-19(2,3)16-11-9-15(10-12-16)18(20)21-13-14-22-17-7-5-4-6-8-17/h4-8,15-16H,9-14H2,1-3H3
InChIKey HBGDKFGGYAODIX-UHFFFAOYSA-N
Mol Weight 320.49 g/mol
Molecular Formula C19H28O2S
Exact Mass 320.181001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HrRArrGgI4J
Name 2-(Phenylthio)ethyl 4-(tert-butyl)cyclohexane-1-carboxylate
Appearance Yellow oil
Carrier Gas Argon
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.181001314 u
Formula C19H28O2S
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C19H28O2S/c1-19(2,3)16-11-9-15(10-12-16)18(20)21-13-14-22-17-7-5-4-6-8-17/h4-8,15-16H,9-14H2,1-3H3
InChIKey HBGDKFGGYAODIX-UHFFFAOYSA-N
Instrument Name Agilent HP-7890A-AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/anie.202211939
Molecular Weight 320.491 g/mol
Quality 134
SMILES C1(=CC=CC=C1)SCCOC(=O)C1CCC(CC1)C(C)(C)C
SPLASH splash10-000i-2900000000-c9f25ac6432ed4fae2a1
Sample Comments dr = 1:1
Source of Spectrum ACI-61-SM59-88 (DOI: 10.1002/anie.202211939)
Wiley ID 1899590