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((4S,5S)-2-{[(2E)-3,7-dimethyl-2,6-octadienyl]sulfanyl}-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methyl pivalate
SpectraBase Compound ID 7ASCJcRjc9k
InChI InChI=1S/C25H35NO3S/c1-18(2)11-10-12-19(3)15-16-30-24-26-21(17-28-23(27)25(4,5)6)22(29-24)20-13-8-7-9-14-20/h7-9,11,13-15,21-22H,10,12,16-17H2,1-6H3/b19-15+/t21-,22-/m0/s1
InChIKey XOUKONPKEWXRJX-QHRLOLLYSA-N
Mol Weight 429.6 g/mol
Molecular Formula C25H35NO3S
Exact Mass 429.233765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BmFc2Ixyhkg
Name ((4S,5S)-2-{[(2E)-3,7-dimethyl-2,6-octadienyl]sulfanyl}-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methyl pivalate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H35NO3S
InChI InChI=1S/C25H35NO3S/c1-18(2)11-10-12-19(3)15-16-30-24-26-21(17-28-23(27)25(4,5)6)22(29-24)20-13-8-7-9-14-20/h7-9,11,13-15,21-22H,10,12,16-17H2,1-6H3/b19-15+/t21-,22-/m0/s1
InChIKey XOUKONPKEWXRJX-QHRLOLLYSA-N
Molecular Weight 429.619 g/mol
SMILES C1(=N[C@]([C@@](O1)(c1ccccc1)[H])(COC(C(C)(C)C)=O)[H])SC\C=C\(CCC=C(C)C)C
SPLASH splash10-05mo-9200000000-6166419726fc45a1bddd
Source of Spectrum F-52-10806-2
Synonyms (4S,5S)-2-[(2E)-(3,7-Dimethyl-2,6-octadien-1-yl)thio)]-4-trimethylacetoxymethyl-5-phenyloxazoline 2-[(2E)-(3,7-Dimethyl-2,6-octadien-1-yl)thio)]-4-trimethylacetoxymethyl-5-phenyloxazoline
Wiley ID 798104