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2(3H)-Furanone, dihydro-4-[1-[2-(phenylsulfonyl)ethenyl]hexyl]-, [R*,R*-(E)]-
SpectraBase Compound ID KDEmliwWzHQ
InChI InChI=1S/C18H24O4S/c1-2-3-5-8-15(16-13-18(19)22-14-16)11-12-23(20,21)17-9-6-4-7-10-17/h4,6-7,9-12,15-16H,2-3,5,8,13-14H2,1H3/b12-11+/t15-,16-/m0/s1
InChIKey IZIIFUPPGWUHBY-WFPWZJHXSA-N
Mol Weight 336.45 g/mol
Molecular Formula C18H24O4S
Exact Mass 336.13953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B9XevhE6y2l
Name 2(3H)-Furanone, dihydro-4-[1-[2-(phenylsulfonyl)ethenyl]hexyl]-, [R*,R*-(E)]-
CAS Registry Number 113460-97-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O4S
InChI InChI=1S/C18H24O4S/c1-2-3-5-8-15(16-13-18(19)22-14-16)11-12-23(20,21)17-9-6-4-7-10-17/h4,6-7,9-12,15-16H,2-3,5,8,13-14H2,1H3/b12-11+/t15-,16-/m0/s1
InChIKey IZIIFUPPGWUHBY-WFPWZJHXSA-N
Molecular Weight 336.446 g/mol
SMILES [C@@](\C=C\S(=O)(=O)c1ccccc1)([C@]1(CC(=O)OC1)[H])(CCCCC)[H]
SPLASH splash10-004i-8901000000-c4d3647f7e521d528e68
Source of Spectrum B-40-1246-42
Synonyms (1'R(*),2'E,3R(*))-3-[3'-(phenylsulfonyl)-1'-pentylprop-2'-enyl]butan-4-olede (4R)-4-[(1R,2E)-1-pentyl-3-(phenylsulfonyl)-2-propenyl]dihydro-2(3H)-furanone
Wiley ID 1332297