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2-Methoxy-1-methyl-4-((2S)-6-methyl-3-(phenylsulfonyl)hept-5-en-2-yl)benzene disomer
SpectraBase Compound ID 70BK2V9wgQi
InChI InChI=1S/C22H28O3S/c1-16(2)11-14-22(26(23,24)20-9-7-6-8-10-20)18(4)19-13-12-17(3)21(15-19)25-5/h6-13,15,18,22H,14H2,1-5H3/t18-,22?/m0/s1
InChIKey XABPRAXRHFODDN-HXBUSHRASA-N
Mol Weight 372.52 g/mol
Molecular Formula C22H28O3S
Exact Mass 372.175916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BANL1K7CfyF
Name 2-Methoxy-1-methyl-4-((2S)-6-methyl-3-(phenylsulfonyl)hept-5-en-2-yl)benzene disomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O3S
InChI InChI=1S/C22H28O3S/c1-16(2)11-14-22(26(23,24)20-9-7-6-8-10-20)18(4)19-13-12-17(3)21(15-19)25-5/h6-13,15,18,22H,14H2,1-5H3/t18-,22?/m0/s1
InChIKey XABPRAXRHFODDN-HXBUSHRASA-N
Molecular Weight 372.523 g/mol
SMILES C(S(=O)(=O)c1ccccc1)([C@](c1cc(OC)c(cc1)C)(C)[H])CC=C(C)C
SPLASH splash10-00li-1950000000-c96bf9c8a38c0700a8c7
Source of Spectrum QC-25-1568-8c
Synonyms 2-Methoxy-1-methyl-4-((2S)-6-methyl-3-(phenylsulfonyl)hept-5-en-2-yl)benzene 4-[(2S)-3-(benzenesulfonyl)-6-methylhept-5-en-2-yl]-2-methoxy-1-methylbenzene 4-[(1S)-2-(benzenesulfonyl)-1,5-dimethyl-hex-4-enyl]-2-methoxy-1-methyl-benzene 2-Methoxy-1-methyl-4-[(2S)-6-methyl-3-(phenylsulfonyl)hept-5-en-2-yl]benzene
Wiley ID 1743374