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(1S*,6S*)-1,2,5,6-Tetrahydro-7-(methoxycarbonyl)-8-methyl-4-(phenylsulfonyl)benzofuran
SpectraBase Compound ID 2gJLoqi3I8
InChI InChI=1S/C17H18O5S/c1-11-16(17(18)21-2)14-10-13(8-9-15(14)22-11)23(19,20)12-6-4-3-5-7-12/h3-8,14-15H,9-10H2,1-2H3/t14-,15+/m0/s1
InChIKey WUTICISCTRWGJF-LSDHHAIUSA-N
Mol Weight 334.39 g/mol
Molecular Formula C17H18O5S
Exact Mass 334.087495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKXZ8oUb4BQ
Name (1S*,6S*)-1,2,5,6-Tetrahydro-7-(methoxycarbonyl)-8-methyl-4-(phenylsulfonyl)benzofuran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O5S
InChI InChI=1S/C17H18O5S/c1-11-16(17(18)21-2)14-10-13(8-9-15(14)22-11)23(19,20)12-6-4-3-5-7-12/h3-8,14-15H,9-10H2,1-2H3/t14-,15+/m0/s1
InChIKey WUTICISCTRWGJF-LSDHHAIUSA-N
Molecular Weight 334.386 g/mol
SMILES C1(=C(O[C@]2([C@@]1(CC(S(=O)(=O)c1ccccc1)=CC2)[H])[H])C)C(=O)OC
SPLASH splash10-002f-2903000000-e2536af61e94df28d85e
Source of Spectrum QA-44-370-13
Synonyms (3aR,7aR)-5-Benzenesulfonyl-2-methyl-3a,4,7,7a-tetrahydro-benzofuran-3-carboxylic acid methyl ester (3aR,7aR)-5-(benzenesulfonyl)-2-methyl-3a,4,7,7a-tetrahydrobenzofuran-3-carboxylic acid methyl ester Methyl (3aR,7aR)-5-(benzenesulfonyl)-2-methyl-3a,4,7,7a-tetrahydro-1-benzofuran-3-carboxylate Methyl (3aR,7aR)-5-(benzenesulfonyl)-2-methyl-3a,4,7,7a-tetrahydrobenzofuran-3-carboxylate Methyl (3aR,7aR)-2-methyl-5-(phenylsulfonyl)-3a,4,7,7a-tetrahydro-1-benzofuran-3-carboxylate
Wiley ID 862557