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2(3H)-Furanone, dihydro-4-[1-(phenylsulfonyl)-2-octenyl]-, [R*,S*-(Z)]-
SpectraBase Compound ID 4Q4dLpQmcCJ
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+/m0/s1
InChIKey ATSLRSHEEXOGJF-GBDOQOGUSA-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 52TZE5ypoXY
Name 2(3H)-Furanone, dihydro-4-[1-(phenylsulfonyl)-2-octenyl]-, [R*,S*-(Z)]-
Alternate Name(s) (1'S(*),2'Z,3R(*))-3-[1'-(phenylsulfonyl)oct-2'-enyl]butan-4-olide (4S)-4-[(1R,2Z)-1-(phenylsulfonyl)-2-octenyl]dihydro-2(3H)-furanone
CAS Registry Number 113460-96-1
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+/m0/s1
InChIKey ATSLRSHEEXOGJF-GBDOQOGUSA-N
Molecular Weight 336.446 g/mol
SMILES [C@@](S(=O)(=O)c1ccccc1)([C@]1(CC(=O)OC1)[H])(\C=C/CCCCC)[H]
SPLASH splash10-002s-5900000000-a2f04922a2f4f9d3923a
Source of Spectrum B-40-1247-41
Wiley ID 1332299