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2-(Phenylthio)ethyl 5-(4-bromophenoxy)pentanoate
SpectraBase Compound ID 1q1wzWwC1Rp
InChI InChI=1S/C19H21BrO3S/c20-16-9-11-17(12-10-16)22-13-5-4-8-19(21)23-14-15-24-18-6-2-1-3-7-18/h1-3,6-7,9-12H,4-5,8,13-15H2
InChIKey GJAXHZKUIZADRF-UHFFFAOYSA-N
Mol Weight 409.34 g/mol
Molecular Formula C19H21BrO3S
Exact Mass 408.039479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Ak7V6hqYSb
Name 2-(Phenylthio)ethyl 5-(4-bromophenoxy)pentanoate
Appearance Colorless oil
Carrier Gas Argon
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Exact Mass 408.039478707 u
Formula C19H21BrO3S
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C19H21BrO3S/c20-16-9-11-17(12-10-16)22-13-5-4-8-19(21)23-14-15-24-18-6-2-1-3-7-18/h1-3,6-7,9-12H,4-5,8,13-15H2
InChIKey GJAXHZKUIZADRF-UHFFFAOYSA-N
Instrument Name Agilent HP-7890A-AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/anie.202211939
Molecular Weight 409.338 g/mol
Quality 221
Reported Formula C19H21BrO3S
SMILES C1(=CC=CC=C1)SCCOC(CCCCOC1=CC=C(C=C1)Br)=O
SPLASH splash10-052r-2900000000-1c2c3d3419de8836d58e
Source of Spectrum ACI-61-SM53-82 (DOI: 10.1002/anie.202211939)
Wiley ID 1899587