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2-(Phenylthio)ethyl 6-bromohexanoate
SpectraBase Compound ID 4PDiYyuT4kz
InChI InChI=1S/C14H19BrO2S/c15-10-6-2-5-9-14(16)17-11-12-18-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2
InChIKey HRAMQBJDZMJWHB-UHFFFAOYSA-N
Mol Weight 331.27 g/mol
Molecular Formula C14H19BrO2S
Exact Mass 330.028914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3AeIqty7tQ
Name 2-(Phenylthio)ethyl 6-bromohexanoate
Appearance Colorless oil
Carrier Gas Argon
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Exact Mass 330.028914024 u
Formula C14H19BrO2S
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C14H19BrO2S/c15-10-6-2-5-9-14(16)17-11-12-18-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2
InChIKey HRAMQBJDZMJWHB-UHFFFAOYSA-N
Instrument Name Agilent HP-7890A-AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/anie.202211939
Molecular Weight 331.268 g/mol
Quality 227
Reported Formula C14H19O2BrS
SMILES C1(=CC=CC=C1)SCCOC(CCCCCBr)=O
SPLASH splash10-000i-1900000000-b92835b6e84fd36ae3bc
Source of Spectrum ACI-61-SM30-24 (DOI: 10.1002/anie.202211939)
Wiley ID 1899538