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5-[1-methyl-2-(phenylsulfanyl)ethyl]spiro[3.3]heptan-1-one
SpectraBase Compound ID 6Ltp6HgTgb5
InChI InChI=1S/C16H20OS/c1-12(11-18-13-5-3-2-4-6-13)14-7-9-16(14)10-8-15(16)17/h2-6,12,14H,7-11H2,1H3
InChIKey WKRNMFKHERKSGK-UHFFFAOYSA-N
Mol Weight 260.39 g/mol
Molecular Formula C16H20OS
Exact Mass 260.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HJOFdFWj2
Name 5-[1-methyl-2-(phenylsulfanyl)ethyl]spiro[3.3]heptan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20OS
InChI InChI=1S/C16H20OS/c1-12(11-18-13-5-3-2-4-6-13)14-7-9-16(14)10-8-15(16)17/h2-6,12,14H,7-11H2,1H3
InChIKey WKRNMFKHERKSGK-UHFFFAOYSA-N
Molecular Weight 260.395 g/mol
SMILES C12(C(C(CSc3ccccc3)C)CC1)C(=O)CC2
SPLASH splash10-03k9-2900000000-7d0e28a5047f65903902
Source of Spectrum C-99-3099-0
Synonyms 7-[1-(phenylthio)propan-2-yl]-3-spiro[3.3]heptanone 7-(1-Methyl-2-phenylsulfanyl-ethyl)spiro[3.3]heptan-3-one 7-(1-phenylsulfanylpropan-2-yl)spiro[3.3]heptan-3-one
Wiley ID 1263956