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7-exo-(phenylthio)-1-(hydroxy-p-anisylmethyl)bicyc[4.1.0]heptan-2-one
SpectraBase Compound ID adzEjUvS08
InChI InChI=1S/C21H22O3S/c1-24-15-12-10-14(11-13-15)19(23)21-17(8-5-9-18(21)22)20(21)25-16-6-3-2-4-7-16/h2-4,6-7,10-13,17,19-20,23H,5,8-9H2,1H3
InChIKey PTONYXOZCMQGSO-UHFFFAOYSA-N
Mol Weight 354.46 g/mol
Molecular Formula C21H22O3S
Exact Mass 354.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BF60SkK0fE7
Name 7-exo-(phenylthio)-1-(hydroxy-p-anisylmethyl)bicyc[4.1.0]heptan-2-one
CAS Registry Number 113975-63-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O3S
InChI InChI=1S/C21H22O3S/c1-24-15-12-10-14(11-13-15)19(23)21-17(8-5-9-18(21)22)20(21)25-16-6-3-2-4-7-16/h2-4,6-7,10-13,17,19-20,23H,5,8-9H2,1H3
InChIKey PTONYXOZCMQGSO-UHFFFAOYSA-N
Molecular Weight 354.464 g/mol
SMILES OC(C12C(Sc3ccccc3)C1CCCC2=O)c1ccc(cc1)OC
SPLASH splash10-004r-3490000000-f21143e09cf4a6a21bd7
Source of Spectrum J-54-4411-16
Synonyms 1-[hydroxy(4-methoxyphenyl)methyl]-7-(phenylsulfanyl)bicyclo[4.1.0]heptan-2-one
Wiley ID 1344670