For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2H-Pyran-5-acetic acid, 3-bromo-4-methoxy-6-methyl-2-oxo-.alpha.-(phenylthio)-, ethyl ester
SpectraBase Compound ID 4h3DRyhqXKX
InChI InChI=1S/C17H17BrO5S/c1-4-22-17(20)15(24-11-8-6-5-7-9-11)12-10(2)23-16(19)13(18)14(12)21-3/h5-9,15H,4H2,1-3H3
InChIKey HWJLADMCBPXFGZ-UHFFFAOYSA-N
Mol Weight 413.28 g/mol
Molecular Formula C17H17BrO5S
Exact Mass 411.998008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HBowsuHtj9N
Name 2H-Pyran-5-acetic acid, 3-bromo-4-methoxy-6-methyl-2-oxo-.alpha.-(phenylthio)-, ethyl ester
Alternate Name(s) 3-Bromo-5-[(ethoxycarbonyl)(phenylthio)methyl]-4-methoxy-6-methyl-2H-pyran-2-one Ethyl (3-bromo-4-methoxy-6-methyl-2-oxo-2H-pyran-5-yl)(phenylsulfanyl)acetate
CAS Registry Number 93338-85-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17BrO5S
InChI InChI=1S/C17H17BrO5S/c1-4-22-17(20)15(24-11-8-6-5-7-9-11)12-10(2)23-16(19)13(18)14(12)21-3/h5-9,15H,4H2,1-3H3
InChIKey HWJLADMCBPXFGZ-UHFFFAOYSA-N
Molecular Weight 413.282 g/mol
SMILES C=1(C(=C(Br)C(OC1C)=O)OC)C(C(=O)OCC)Sc1ccccc1
SPLASH splash10-0pbc-5489100000-920ac4b1d8caec0ce48e
Source of Spectrum K-120-1417-6
Wiley ID 1374278