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Ethyl [6-(bromomethyl)-4-methoxy-2-oxo-2H-pyran-5-yl](phenylsulfanyl)acetate

View entire compound with spectra: 1 MS (GC)

Ethyl [6-(bromomethyl)-4-methoxy-2-oxo-2H-pyran-5-yl](phenylsulfanyl)acetate
SpectraBase Compound ID 61e6rxWRjso
InChI InChI=1S/C17H17BrO5S/c1-3-22-17(20)16(24-11-7-5-4-6-8-11)15-12(21-2)9-14(19)23-13(15)10-18/h4-9,16H,3,10H2,1-2H3
InChIKey PYPSICCTAZARHO-UHFFFAOYSA-N
Mol Weight 413.28 g/mol
Molecular Formula C17H17BrO5S
Exact Mass 411.998008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A8dxiYmHaZ6
Name Ethyl [6-(bromomethyl)-4-methoxy-2-oxo-2H-pyran-5-yl](phenylsulfanyl)acetate
CAS Registry Number 116054-34-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17BrO5S
InChI InChI=1S/C17H17BrO5S/c1-3-22-17(20)16(24-11-7-5-4-6-8-11)15-12(21-2)9-14(19)23-13(15)10-18/h4-9,16H,3,10H2,1-2H3
InChIKey PYPSICCTAZARHO-UHFFFAOYSA-N
Molecular Weight 413.282 g/mol
SMILES CCOC(C(C=1C(=CC(=O)OC1CBr)OC)Sc1ccccc1)=O
SPLASH splash10-0a4i-8962000000-90bc1f664259350fa54a
Source of Spectrum J-53-5151-7
Synonyms 2-[2-(bromomethyl)-4-methoxy-6-oxo-3-pyranyl]-2-(phenylthio)acetic acid ethyl ester 2-[2-(bromomethyl)-6-keto-4-methoxy-pyran-3-yl]-2-(phenylthio)acetic acid ethyl ester 2H-Pyran-5-acetic acid, 6-(bromomethyl)-4-methoxy-2-oxo-.alpha.-(phenylthio)-, ethyl ester Ethyl 2-[2-(bromomethyl)-4-methoxy-6-oxidanylidene-pyran-3-yl]-2-phenylsulfanyl-ethanoate Ethyl 2-[2-(bromomethyl)-4-methoxy-6-oxo-pyran-3-yl]-2-phenylsulfanyl-acetate
Wiley ID 1374277