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2,7-Dithiabicyclo[2.2.1]heptan-3-one, 1-(ethylthio)-6-methoxy-5-(2-methyl-1-propenylidene)-4-phenyl-, endo-
SpectraBase Compound ID lAHSQ9ZkeT
InChI InChI=1S/C18H20O2S3/c1-5-21-18-15(20-4)14(11-12(2)3)17(23-18,16(19)22-18)13-9-7-6-8-10-13/h6-10,15H,5H2,1-4H3
InChIKey NIFHCRYDIPKPKF-UHFFFAOYSA-N
Mol Weight 364.54 g/mol
Molecular Formula C18H20O2S3
Exact Mass 364.062543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KWrQsQ5Tx2Z
Name 2,7-Dithiabicyclo[2.2.1]heptan-3-one, 1-(ethylthio)-6-methoxy-5-(2-methyl-1-propenylidene)-4-phenyl-, endo-
CAS Registry Number 100094-87-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O2S3
InChI InChI=1S/C18H20O2S3/c1-5-21-18-15(20-4)14(11-12(2)3)17(23-18,16(19)22-18)13-9-7-6-8-10-13/h6-10,15H,5H2,1-4H3
InChIKey NIFHCRYDIPKPKF-UHFFFAOYSA-N
Molecular Weight 364.536 g/mol
SMILES C12(SC(=O)C(S2)(c2ccccc2)C(C1OC)=C=C(C)C)SCC
SPLASH splash10-0it9-0492000000-9d1eb05b81a7d60e43ad
Source of Spectrum K-118-3459-6
Synonyms 2,7-Dithiabicyclo[2.2.1]heptan-3-one, 1-(ethylthio)-6-methoxy-5-(2-methyl-1-propenylidene)-4-phenyl-, exo- 1-(ethylsulfanyl)-6-methoxy-5-(2-methylprop-1-en-1-ylidene)-4-phenyl-2,7-dithiabicyclo[2.2.1]heptan-3-one 1-(ethylthio)-endo-6-methoxy-5-(2-methyl-1-propenyliden)-4-phenyl-2,7-dithiabicyclo[2.2.1]heptan-3-one 1-(ethylthio)-exo-6-methoxy-5-(2-methyl-1-propenyliden)-4-phenyl-2,7-dithiabicyclo[2.2.1]heptan-3-one
Wiley ID 1350641