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1-Propen-1-ol, 3-[(4-methylphenyl)sulfonyl]-2-(phenylseleno)-, benzoate, (Z)-
SpectraBase Compound ID AhSnCwQPfyW
InChI InChI=1S/C23H20O4SSe/c1-18-12-14-20(15-13-18)28(25,26)17-22(29-21-10-6-3-7-11-21)16-27-23(24)19-8-4-2-5-9-19/h2-16H,17H2,1H3/b22-16-
InChIKey KDVYOMFQVJGSBQ-JWGURIENSA-N
Mol Weight 471.44 g/mol
Molecular Formula C23H20O4SSe
Exact Mass 472.024752 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kyv89ecObTZ
Name 1-Propen-1-ol, 3-[(4-methylphenyl)sulfonyl]-2-(phenylseleno)-, benzoate, (Z)-
CAS Registry Number 122471-83-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20O4SSe
InChI InChI=1S/C23H20O4SSe/c1-18-12-14-20(15-13-18)28(25,26)17-22(29-21-10-6-3-7-11-21)16-27-23(24)19-8-4-2-5-9-19/h2-16H,17H2,1H3/b22-16-
InChIKey KDVYOMFQVJGSBQ-JWGURIENSA-N
Molecular Weight 471.441 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)\C(=C\OC(=O)c1ccccc1)[Se]c1ccccc1
SPLASH splash10-0a4i-0910000000-7b84a5a4c3b3e0105895
Source of Spectrum J-54-4152-4
Synonyms 3-(Phenylcarboxy)-2-(phenylseleno)-1-(p-tolylsulfonyl)-1-propene (1Z)-3-[(4-methylphenyl)sulfonyl]-2-(phenylselanyl)-1-propenyl benzoate 2-(Phenylseleno)-3-(p-tolylsulfonyl)-1-(phenylcarboxy)propene
Wiley ID 1393272