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2-[(E)-1-benzoxy-5-besyl-3-methyl-pent-3-enyl]-2-isopropyl-1,3-dithiane
SpectraBase Compound ID GPWLonVUbSn
InChI InChI=1S/C26H34O3S3/c1-21(2)26(30-16-10-17-31-26)25(29-20-23-11-6-4-7-12-23)19-22(3)15-18-32(27,28)24-13-8-5-9-14-24/h4-9,11-15,21,25H,10,16-20H2,1-3H3/b22-15+
InChIKey AXNBEBTZMRBZSA-PXLXIMEGSA-N
Mol Weight 490.7 g/mol
Molecular Formula C26H34O3S3
Exact Mass 490.167008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3zB3CnmQnk5
Name 2-[(E)-1-benzoxy-5-besyl-3-methyl-pent-3-enyl]-2-isopropyl-1,3-dithiane
Alternate Name(s) 2-[(E)-3-methyl-1-phenylmethoxy-5-(phenylsulfonyl)pent-3-enyl]-2-propan-2-yl-1,3-dithiane 2-[(E)-5-(benzenesulfonyl)-1-benzyloxy-3-methyl-pent-3-enyl]-2-isopropyl-1,3-dithiane 2-[(E)-5-(benzenesulfonyl)-3-methyl-1-phenylmethoxypent-3-enyl]-2-propan-2-yl-1,3-dithiane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34O3S3
InChI InChI=1S/C26H34O3S3/c1-21(2)26(30-16-10-17-31-26)25(29-20-23-11-6-4-7-12-23)19-22(3)15-18-32(27,28)24-13-8-5-9-14-24/h4-9,11-15,21,25H,10,16-20H2,1-3H3/b22-15+
InChIKey AXNBEBTZMRBZSA-PXLXIMEGSA-N
Molecular Weight 490.735 g/mol
SMILES C(S(=O)(=O)c1ccccc1)\C=C\(CC(C1(SCCCS1)C(C)C)OCc1ccccc1)C
SPLASH splash10-03dl-5901000000-7c1a28d22648e688cdd8
Source of Spectrum OP-26-453-6
Wiley ID 850572