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2(3H)-Furanone, dihydro-4-[1-(phenylsulfonyl)-2-octenyl]-, [R*,R*-(Z)]-
SpectraBase Compound ID I6E4nzXvHW1
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-IKTMDDPPSA-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 7uBXl40u4l
Name 2(3H)-Furanone, dihydro-4-[1-(phenylsulfonyl)-2-octenyl]-, [R*,R*-(Z)]-
CAS Registry Number 113460-95-0
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-IKTMDDPPSA-N
Molecular Weight 336.446 g/mol
SMILES [C@@](S(=O)(=O)c1ccccc1)([C@@]1(CC(=O)OC1)[H])(\C=C/CCCCC)[H]
SPLASH splash10-00p3-9100000000-21eae19d28f408af662c
Source of Spectrum B-40-1247-40
Synonyms (1'R(*),2'Z,3R(*)-3-[1'-(phenylsulfonyl)oct-2'-enyl]butan-4-olide (4R)-4-[(1R,2Z)-1-(phenylsulfonyl)-2-octenyl]dihydro-2(3H)-furanone
Wiley ID 1332298