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2(3H)-Furanone, dihydro-4-[1-(phenylsulfonyl)-2-octenyl]-, [R*,R*-(E)]-
SpectraBase Compound ID IxIXX6Jm7pz
InChI InChI=1S/C18H24O4S/c1-2-3-4-5-9-12-17(15-13-18(19)22-14-15)23(20,21)16-10-7-6-8-11-16/h6-12,15,17H,2-5,13-14H2,1H3/b12-9+/t15-,17-/m1/s1
InChIKey ATSLRSHEEXOGJF-BZYXRLQRSA-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 5ikMPx4te97
Name 2(3H)-Furanone, dihydro-4-[1-(phenylsulfonyl)-2-octenyl]-, [R*,R*-(E)]-
Alternate Name(s) (1'R(*),2'E,3R(*)-3-[1'-(phenyllufonyl)oct-2'-enyl]butan-4-olide (4R)-4-[(1R,2E)-1-(phenylsulfonyl)-2-octenyl]dihydro-2(3H)-furanone
CAS Registry Number 113477-43-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O4S
InChI InChI=1S/C18H24O4S/c1-2-3-4-5-9-12-17(15-13-18(19)22-14-15)23(20,21)16-10-7-6-8-11-16/h6-12,15,17H,2-5,13-14H2,1H3/b12-9+/t15-,17-/m1/s1
InChIKey ATSLRSHEEXOGJF-BZYXRLQRSA-N
Molecular Weight 336.446 g/mol
SMILES [C@@](S(=O)(=O)c1ccccc1)([C@@]1(CC(=O)OC1)[H])(\C=C\CCCCC)[H]
SPLASH splash10-004i-9500000000-806301d246987ecc2c02
Source of Spectrum B-40-1246-37
Wiley ID 1332295