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1,6-Methano[10]annuleno[3,4-c]-2,5-dihydrothiophene S-oxide isomer
SpectraBase Compound ID AoJgAvN1BoK
InChI InChI=1S/C13H12OS/c14-15-8-12-6-10-3-1-2-4-11(5-10)7-13(12)9-15/h1-4,6-7H,5,8-9H2
InChIKey PMJDSFZCFSDIMN-UHFFFAOYSA-N
Mol Weight 216.3 g/mol
Molecular Formula C13H12OS
Exact Mass 216.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ePlFqm2yFD
Name 1,6-Methano[10]annuleno[3,4-c]-2,5-dihydrothiophene S-oxide isomer
Alternate Name(s) 1,6-Methano[10]annuleno[3,4-c]-2,5-dihydrothiophene S-oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12OS
InChI InChI=1S/C13H12OS/c14-15-8-12-6-10-3-1-2-4-11(5-10)7-13(12)9-15/h1-4,6-7H,5,8-9H2
InChIKey PMJDSFZCFSDIMN-UHFFFAOYSA-N
Molecular Weight 216.298 g/mol
SMILES C12=C(C=C3C=CC=CC(=C2)C3)CS(C1)=O
SPLASH splash10-014i-0900000000-cd9d79f515eb83836722
Source of Spectrum Y1-46-7314-7
Wiley ID 1622673