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[(2R,3R)-2-methyl-3-[(E)-3-methyl-5-(phenylsulfonyl)pent-3-enyl]oxiran-2-yl]methanol
SpectraBase Compound ID w89PGksTLN
InChI InChI=1S/C16H22O4S/c1-13(8-9-15-16(2,12-17)20-15)10-11-21(18,19)14-6-4-3-5-7-14/h3-7,10,15,17H,8-9,11-12H2,1-2H3/b13-10+/t15-,16-/m1/s1
InChIKey JGLWTRSNRWLRAJ-ROCUKZSVSA-N
Mol Weight 310.41 g/mol
Molecular Formula C16H22O4S
Exact Mass 310.12388 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LQ0arQNFosW
Name [(2R,3R)-2-Methyl-3-[(E)-3-methyl-5-(phenylsulfonyl)pent-3-enyl]oxiran-2-yl]methanol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.123880358 u
Formula C16H22O4S
InChI InChI=1S/C16H22O4S/c1-13(8-9-15-16(2,12-17)20-15)10-11-21(18,19)14-6-4-3-5-7-14/h3-7,10,15,17H,8-9,11-12H2,1-2H3/b13-10+/t15-,16-/m1/s1
InChIKey JGLWTRSNRWLRAJ-ROCUKZSVSA-N
Molecular Weight 310.408 g/mol
SMILES [C@]1(O[C@@]1(CC\C(=C\CS(=O)(=O)C=1C=CC=CC1)C)[H])(CO)C