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2(3H)-Furanone, 5-(1,1-dimethylethyl)dihydro-4-(phenylthio)-, cis-
SpectraBase Compound ID H9zDUZrGJAR
InChI InChI=1S/C14H18O2S/c1-14(2,3)13-11(9-12(15)16-13)17-10-7-5-4-6-8-10/h4-8,11,13H,9H2,1-3H3/t11-,13+/m0/s1
InChIKey CMGNERCUWAAPDT-WCQYABFASA-N
Mol Weight 250.36 g/mol
Molecular Formula C14H18O2S
Exact Mass 250.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8R1obNE2uov
Name 2(3H)-Furanone, 5-(1,1-dimethylethyl)dihydro-4-(phenylthio)-, cis-
Alternate Name(s) (4S,5S)-5-tert-butyl-4-(phenylsulfanyl)dihydro-2(3H)-furanone 4-(Phenylthio)-5-butyl-4,5-dihydrofuran-2(3H)-one
CAS Registry Number 79749-89-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2S
InChI InChI=1S/C14H18O2S/c1-14(2,3)13-11(9-12(15)16-13)17-10-7-5-4-6-8-10/h4-8,11,13H,9H2,1-3H3/t11-,13+/m0/s1
InChIKey CMGNERCUWAAPDT-WCQYABFASA-N
Molecular Weight 250.356 g/mol
SMILES [C@@]1([C@@](OC(C1)=O)(C(C)(C)C)[H])(Sc1ccccc1)[H]
SPLASH splash10-0006-0930000000-a87b35d54d45763dcb01
Source of Spectrum KC-1981-2757-0
Wiley ID 1253210