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(3aS,4R)-4-Butyl-7-phenylsulfonyl-2-vinyl-2,3,3a,4,5,6-hexahydro-2,3-benzofuran

View entire compound with spectra: 1 MS (GC)

(3aS,4R)-4-Butyl-7-phenylsulfonyl-2-vinyl-2,3,3a,4,5,6-hexahydro-2,3-benzofuran
SpectraBase Compound ID 2a4N3YKm4sM
InChI InChI=1S/C20H26O3S/c1-3-5-9-15-12-13-19(20-18(15)14-16(4-2)23-20)24(21,22)17-10-7-6-8-11-17/h4,6-8,10-11,15-16,18H,2-3,5,9,12-14H2,1H3/t15-,16?,18+/m1/s1
InChIKey OGFXZMPXVUVJGK-AGPBCMBSSA-N
Mol Weight 346.49 g/mol
Molecular Formula C20H26O3S
Exact Mass 346.160266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 34LqD2iEXg
Name (3aS,4R)-4-Butyl-7-phenylsulfonyl-2-vinyl-2,3,3a,4,5,6-hexahydro-2,3-benzofuran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O3S
InChI InChI=1S/C20H26O3S/c1-3-5-9-15-12-13-19(20-18(15)14-16(4-2)23-20)24(21,22)17-10-7-6-8-11-17/h4,6-8,10-11,15-16,18H,2-3,5,9,12-14H2,1H3/t15-,16?,18+/m1/s1
InChIKey OGFXZMPXVUVJGK-AGPBCMBSSA-N
Molecular Weight 346.485 g/mol
SMILES C1(S(=O)(=O)c2ccccc2)=C2[C@](CC(O2)C=C)([H])[C@@](CC1)(CCCC)[H]
SPLASH splash10-052k-0493000000-96d2d13cc09948f4d762
Source of Spectrum QE-8-936-8
Synonyms (3aS,4R)-4-butyl-2-vinyl-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-yl phenyl sulfone (3aS,4R)-4-butyl-7-(phenylsulfonyl)-2-vinyl-2,3,3a,4,5,6-hexahydro-1-benzofuran 4-Butyl-7-phenylsulfonyl-2-vinyl-2,3,3a,4,5,6-hexahydro-2,3-benzofuran
Wiley ID 1557256