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Methyl 4,4-dimethyl-8-oxo-2-phenylthiobicyclo[3.3.0]octane-1-carboxylate
SpectraBase Compound ID 9aJMWp1tYO9
InChI InChI=1S/C18H22O3S/c1-17(2)11-15(22-12-7-5-4-6-8-12)18(16(20)21-3)13(17)9-10-14(18)19/h4-8,13,15H,9-11H2,1-3H3
InChIKey SACZJFYZFLKJLH-UHFFFAOYSA-N
Mol Weight 318.43 g/mol
Molecular Formula C18H22O3S
Exact Mass 318.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8O06C0kA7S7
Name Methyl 4,4-dimethyl-8-oxo-2-phenylthiobicyclo[3.3.0]octane-1-carboxylate
CAS Registry Number 125212-01-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O3S
InChI InChI=1S/C18H22O3S/c1-17(2)11-15(22-12-7-5-4-6-8-12)18(16(20)21-3)13(17)9-10-14(18)19/h4-8,13,15H,9-11H2,1-3H3
InChIKey SACZJFYZFLKJLH-UHFFFAOYSA-N
Molecular Weight 318.431 g/mol
SMILES C12(C(CC(C2CCC1=O)(C)C)Sc1ccccc1)C(=O)OC
SPLASH splash10-016t-0925000000-f4eddb63702e525cae3d
Source of Spectrum B-42-1466-9
Synonyms Methyl 1,1-dimethyl-4-oxo-3-(phenylsulfanyl)hexahydro-3a(1H)-pentalenecarboxylate
Wiley ID 1318491