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2-Buten-1-ol, 4-[(4-methylphenyl)sulfonyl]-3-(phenylseleno)-, benzoate, (Z)-
SpectraBase Compound ID ca18S18U67
InChI InChI=1S/C24H22O4SSe/c1-19-12-14-21(15-13-19)29(26,27)18-23(30-22-10-6-3-7-11-22)16-17-28-24(25)20-8-4-2-5-9-20/h2-16H,17-18H2,1H3/b23-16-
InChIKey JVNPCNIPUQKMLS-KQWNVCNZSA-N
Mol Weight 485.47 g/mol
Molecular Formula C24H22O4SSe
Exact Mass 486.040402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KoQ5zgwLz7b
Name 2-Buten-1-ol, 4-[(4-methylphenyl)sulfonyl]-3-(phenylseleno)-, benzoate, (Z)-
CAS Registry Number 122471-81-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22O4SSe
InChI InChI=1S/C24H22O4SSe/c1-19-12-14-21(15-13-19)29(26,27)18-23(30-22-10-6-3-7-11-22)16-17-28-24(25)20-8-4-2-5-9-20/h2-16H,17-18H2,1H3/b23-16-
InChIKey JVNPCNIPUQKMLS-KQWNVCNZSA-N
Molecular Weight 485.468 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)\C(=C\COC(=O)c1ccccc1)[Se]c1ccccc1
SPLASH splash10-0a6r-4900000000-b625e45f127f9f7a04b8
Source of Spectrum J-54-4152-4
Synonyms (2Z)-4-[(4-methylphenyl)sulfonyl]-3-(phenylselanyl)-2-butenyl benzoate 4-(Phenylcarboxy)-2-(phenylseleno)-1-(p-tolylsulfonyl)-3-butene
Wiley ID 1396413