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4,6-Heptadien-1-ol, 5-(phenylseleno)-, 4-methylbenzenesulfonate, (Z)-
SpectraBase Compound ID 3bCSJRsuln5
InChI InChI=1S/C20H22O3SSe/c1-3-19(25-20-10-5-4-6-11-20)9-7-8-16-23-24(21,22)18-14-12-17(2)13-15-18/h3-6,9-15H,1,7-8,16H2,2H3/b19-9-
InChIKey XGAYNRAWZWQWGQ-OCKHKDLRSA-N
Mol Weight 421.42 g/mol
Molecular Formula C20H22O3SSe
Exact Mass 422.045488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11CKeqlKsLP
Name 4,6-Heptadien-1-ol, 5-(phenylseleno)-, 4-methylbenzenesulfonate, (Z)-
CAS Registry Number 128845-70-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O3SSe
InChI InChI=1S/C20H22O3SSe/c1-3-19(25-20-10-5-4-6-11-20)9-7-8-16-23-24(21,22)18-14-12-17(2)13-15-18/h3-6,9-15H,1,7-8,16H2,2H3/b19-9-
InChIKey XGAYNRAWZWQWGQ-OCKHKDLRSA-N
Molecular Weight 421.425 g/mol
SMILES c1(S(=O)(=O)OCCC\C=C\([Se]c2ccccc2)C=C)ccc(cc1)C
SPLASH splash10-0006-9300000000-87a3ecf61715f0a2a049
Source of Spectrum J-55-5734-98
Synonyms (4Z)-5-(phenylselanyl)-4,6-heptadienyl 4-methylbenzenesulfonate (Z)-3-(phenylseleno)-7-[(p-tolylsulfonyl)oxy]-hepta-1,3-diene
Wiley ID 1378483