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(2R,3R)-3-(1-cyclohexenyl)-3-[(4-methoxyphenyl)thio]-2-methylpropanoic acid methyl ester
SpectraBase Compound ID CpGMWsHWr5k
InChI InChI=1S/C18H24O3S/c1-13(18(19)21-3)17(14-7-5-4-6-8-14)22-16-11-9-15(20-2)10-12-16/h7,9-13,17H,4-6,8H2,1-3H3/t13-,17+/m0/s1
InChIKey UTYPIEGTQNOITG-SUMWQHHRSA-N
Mol Weight 320.45 g/mol
Molecular Formula C18H24O3S
Exact Mass 320.144616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8nl1ZzrJ1z
Name (2R,3R)-3-(1-cyclohexenyl)-3-[(4-methoxyphenyl)thio]-2-methylpropanoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O3S
InChI InChI=1S/C18H24O3S/c1-13(18(19)21-3)17(14-7-5-4-6-8-14)22-16-11-9-15(20-2)10-12-16/h7,9-13,17H,4-6,8H2,1-3H3/t13-,17+/m0/s1
InChIKey UTYPIEGTQNOITG-SUMWQHHRSA-N
Molecular Weight 320.447 g/mol
SMILES [C@@]([C@](C1=CCCCC1)(Sc1ccc(cc1)OC)[H])(C(=O)OC)(C)[H]
SPLASH splash10-00dl-0902000000-d142082144f1c6757006
Source of Spectrum KC-0-369-19
Synonyms (2R,3R)-3-(cyclohexen-1-yl)-3-[(4-methoxyphenyl)thio]-2-methyl-propionic acid methyl ester Methyl (2R,3R)-3-(cyclohexen-1-yl)-3-(4-methoxyphenyl)sulfanyl-2-methyl-propanoate
Wiley ID 785052