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7,9-Dithiatricyclo[4.2.1.0(2,5)]non-3-en-8-one, 1,6-diphenyl-, (1.alpha.,2.beta.,5.beta.,6.alpha.)-
SpectraBase Compound ID 5q65Ezq46z7
InChI InChI=1S/C19H14OS2/c20-17-18(13-7-3-1-4-8-13)15-11-12-16(15)19(21-17,22-18)14-9-5-2-6-10-14/h1-12,15-16H/t15?,16?,18-,19+/m0/s1
InChIKey VFQPRQFVPRVQBC-YVZJPGBNSA-N
Mol Weight 322.44 g/mol
Molecular Formula C19H14OS2
Exact Mass 322.048607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KD4EQpm97qG
Name 7,9-Dithiatricyclo[4.2.1.0(2,5)]non-3-en-8-one, 1,6-diphenyl-, (1.alpha.,2.beta.,5.beta.,6.alpha.)-
CAS Registry Number 62616-03-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14OS2
InChI InChI=1S/C19H14OS2/c20-17-18(13-7-3-1-4-8-13)15-11-12-16(15)19(21-17,22-18)14-9-5-2-6-10-14/h1-12,15-16H/t15?,16?,18-,19+/m0/s1
InChIKey VFQPRQFVPRVQBC-YVZJPGBNSA-N
Molecular Weight 322.440 g/mol
SMILES [C@@]12(SC(=O)[C@](S2)(c2ccccc2)C2C1C=C2)c1ccccc1
SPLASH splash10-03k9-1950000000-395d5482f334f295f8e1
Source of Spectrum KC-1976-2564-0
Synonyms 1,6-Diphenyl-7,9-dithiatricyclo[4.2.1.0(2,5)]non-3-en-8-one 1,6-Diphenyl-7,9-dithiatricylo[4.2.1.0(2,5)]non-3-en-8-one
Wiley ID 1321752