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trans-7,8-epoxy-2-methyloctadec-8-yl p-tolyl sulfoxide
SpectraBase Compound ID 6nqqYPFWbnH
InChI InChI=1S/C26H44O2S/c1-5-6-7-8-9-10-11-14-21-26(25(28-26)16-13-12-15-22(2)3)29(27)24-19-17-23(4)18-20-24/h17-20,22,25H,5-16,21H2,1-4H3/t25-,26-,29?/m0/s1
InChIKey YNLRLJVNGRXRIK-QEGCZXFXSA-N
Mol Weight 420.7 g/mol
Molecular Formula C26H44O2S
Exact Mass 420.306202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID mJupekAm8y
Name trans-7,8-epoxy-2-methyloctadec-8-yl p-tolyl sulfoxide
Alternate Name(s) (2S,3S)-2-decyl-3-(5-methylhexyl)-2-[(4-methylphenyl)sulfinyl]oxirane (2S,3S)-2-decyl-3-(5-methylhexyl)oxiranyl 4-methylphenyl sulfoxide
CAS Registry Number 116386-57-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H44O2S
InChI InChI=1S/C26H44O2S/c1-5-6-7-8-9-10-11-14-21-26(25(28-26)16-13-12-15-22(2)3)29(27)24-19-17-23(4)18-20-24/h17-20,22,25H,5-16,21H2,1-4H3/t25-,26-,29?/m0/s1
InChIKey YNLRLJVNGRXRIK-QEGCZXFXSA-N
Molecular Weight 420.696 g/mol
SMILES [C@@]1(O[C@]1(CCCCC(C)C)[H])(S(c1ccc(cc1)C)=O)CCCCCCCCCC
SPLASH splash10-00kf-9820000000-728d80066ebbb23a902a
Source of Spectrum J-54-3136-19
Wiley ID 1378104