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2-(2-bromanyl-4-phenoxy-phenoxy)ethyl 4-methylbenzenesulfonate

View entire compound with spectra: 1 MS (GC)

2-(2-bromanyl-4-phenoxy-phenoxy)ethyl 4-methylbenzenesulfonate
SpectraBase Compound ID BNmsjn4Mk3l
InChI InChI=1S/C21H19BrO5S/c1-16-7-10-19(11-8-16)28(23,24)26-14-13-25-21-12-9-18(15-20(21)22)27-17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3
InChIKey NURKYQWXYSMNHF-UHFFFAOYSA-N
Mol Weight 463.34 g/mol
Molecular Formula C21H19BrO5S
Exact Mass 462.013658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7mN8OG8JvFJ
Name 2-(2-bromanyl-4-phenoxy-phenoxy)ethyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19BrO5S
InChI InChI=1S/C21H19BrO5S/c1-16-7-10-19(11-8-16)28(23,24)26-14-13-25-21-12-9-18(15-20(21)22)27-17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3
InChIKey NURKYQWXYSMNHF-UHFFFAOYSA-N
Molecular Weight 463.342 g/mol
SMILES c1(S(=O)(=O)OCCOc2c(cc(cc2)Oc2ccccc2)Br)ccc(cc1)C
SPLASH splash10-004m-9631000000-8b9316e7bc3e4de0e349
Source of Spectrum F2-43-1835-46
Synonyms 2-(2-bromo-4-phenoxy-phenoxy)ethyl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid 2-(2-bromo-4-phenoxy-phenoxy)ethyl ester 4-Methylbenzenesulfonic acid 2-(2-bromo-4-phenoxyphenoxy)ethyl ester
Wiley ID 1600553