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(2S,3R,6R)-3-Isopropyl-5-[(R)-N-methyl-S-phenyl-sulfonimidoyl]-2-[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undec-4-ene
SpectraBase Compound ID 6qV5dHlASbE
InChI InChI=1S/C22H31NO3S/c1-5-11-20-19(17(2)3)16-21(22(26-20)14-9-10-15-25-22)27(24,23-4)18-12-7-6-8-13-18/h5-8,11-13,16-17,19-20H,9-10,14-15H2,1-4H3/b11-5+/t19-,20-,22+,27+/m0/s1
InChIKey CUYYSARFGHBZNZ-AVUUMYRPSA-N
Mol Weight 389.55 g/mol
Molecular Formula C22H31NO3S
Exact Mass 389.202465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKXKlUofWGR
Name (2S,3R,6R)-3-Isopropyl-5-[(R)-N-methyl-S-phenyl-sulfonimidoyl]-2-[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undec-4-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31NO3S
InChI InChI=1S/C22H31NO3S/c1-5-11-20-19(17(2)3)16-21(22(26-20)14-9-10-15-25-22)27(24,23-4)18-12-7-6-8-13-18/h5-8,11-13,16-17,19-20H,9-10,14-15H2,1-4H3/b11-5+/t19-,20-,22+,27+/m0/s1
InChIKey CUYYSARFGHBZNZ-AVUUMYRPSA-N
Molecular Weight 389.554 g/mol
SMILES C=1([S@](=NC)(=O)c2ccccc2)[C@@]2(O[C@]([C@@](C1)(C(C)C)[H])(\C=C\C)[H])OCCCC2
SPLASH splash10-0kbb-0933000000-4f3221d35dfbad46307c
Source of Spectrum U1-2014-550-27
Wiley ID 1740459